2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: 2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: 2-cyano-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]-N-thiazol-2-yl-prop-2-enamide CAS Name: 2-cyano-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-N-(2-thiazolyl)-2-propenamide IUPAC Name: 2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: 2-cyano-3-[3-nitro-4-(p-tolylthio)phenyl]-N-thiazol-2-yl-acrylamide Formula: C20H14N4O3S2 MolecularWeight: 422.48016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S2/c1-13-2-5-16(6-3-13)29-18-7-4-14(11-17(18)24(26)27)10-15(12-21)19(25)23-20-22-8-9-28-20/h2-11H,1H3,(H,22,23,25)