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

Systemtic Name: (Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enamide Openeye Name: (Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enamide CAS Name: (Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-propenamide IUPAC Name: (Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]prop-2-enamide Traditional Name: (Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]acrylamide Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C(=C\C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])/C#N)Cl

InChI

InChI=1S/C18H14ClN3O4S/c19-14-2-4-15(5-3-14)21-18(24)13(11-20)9-12-1-6-17(27-8-7-23)16(10-12)22(25)26/h1-6,9-10,23H,7-8H2,(H,21,24)/b13-9-