(Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-(4-methylphenyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-(p-tolyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-N-(4-methylphenyl)-2-propenamide IUPAC Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]-N-(4-methylphenyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]-N-(p-tolyl)acrylamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H17N3O4S/c1-13-2-5-16(6-3-13)21-19(24)15(12-20)10-14-4-7-18(27-9-8-23)17(11-14)22(25)26/h2-7,10-11,23H,8-9H2,1H3,(H,21,24)/b15-10-