(2Z)-3-{3-[(4-chlorophenyl)methoxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

(2Z)-3-{3-[(4-chlorophenyl)methoxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Formula: C19H16ClN3O3S

SMILES: CC1=NN=C(N1)SC(=C/C1=CC(OCC2=CC=C(Cl)C=C2)=CC=C1)C(O)=O

IUPAC: (2Z)-3-{3-[(4-chlorophenyl)methoxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

InChI: InChI=1S/C19H16ClN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-14-3-2-4-16(9-14)26-11-13-5-7-15(20)8-6-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/b17-10-

Composition: C (56.79%), H (4.01%), Cl (8.82%), N (10.46%), O (11.94%), S (7.98%)

Molar Mass: 401.87

Atom Count: 43

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	401.0600903
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NOQPIWMLWXNCMA-YVLHZVERSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.7
Topological Polar Surface Area	88.1
Polarizability	40.49
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00