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

Systemtic Name: (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enamide Openeye Name: (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enamide CAS Name: (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]prop-2-enamide Traditional Name: (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]acrylamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-13-4-3-5-17(14(13)2)22-20(25)16(12-21)10-15-6-7-19(28-9-8-24)18(11-15)23(26)27/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,25)/b16-10-