(2E)-2-cyano-3-(4-{[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)prop-2-enamide

(2E)-2-cyano-3-(4-{[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)prop-2-enamide

Formula: C18H10Cl2N6O3S

SMILES: NC(=O)C(=CC1=CC=C(SC2=NNC(=N2)C2=CC=C(Cl)C=C2Cl)C(=C1)[N+]([O-])=O)C#N

IUPAC: (2E)-2-cyano-3-(4-{[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)prop-2-enamide

InChI: InChI=1S/C18H10Cl2N6O3S/c19-11-2-3-12(13(20)7-11)17-23-18(25-24-17)30-15-4-1-9(6-14(15)26(28)29)5-10(8-21)16(22)27/h1-7H,(H2,22,27)(H,23,24,25)/b10-5+

Composition: C (46.87%), H (2.19%), Cl (15.37%), N (18.22%), O (10.41%), S (6.95%)

Molar Mass: 461.28

Atom Count: 40

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	459.9912148
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	GOJWXZNRYBTQKD-BJMVGYQFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.46
Topological Polar Surface Area	151.59
Polarizability	43.11
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H10Cl2N6O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00