2-(4-{[(2Z,5Z)-2-[(3-chloro-4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetonitrile

2-(4-{[(2Z,5Z)-2-[(3-chloro-4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetonitrile

Formula: C21H18ClN3O3S

SMILES: CCOC1=CC(C=C2/SC(NC2=O)=N/C2=CC=C(C)C(Cl)=C2)=CC=C1OCC#N

IUPAC: 2-(4-{[(2Z,5Z)-2-[(3-chloro-4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetonitrile

InChI: InChI=1S/C21H18ClN3O3S/c1-3-27-18-10-14(5-7-17(18)28-9-8-23)11-19-20(26)25-21(29-19)24-15-6-4-13(2)16(22)12-15/h4-7,10-12H,3,9H2,1-2H3,(H,24,25,26)/b19-11-

Composition: C (58.95%), H (4.24%), Cl (8.28%), N (9.82%), O (11.22%), S (7.49%)

Molar Mass: 427.9

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	427.0757403
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VLNJDKOHOAXGFP-ODLFYWEKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.55
Topological Polar Surface Area	83.71
Polarizability	43.54
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00