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

Systemtic Name: (Z)-2-cyano-N-cyclohexyl-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enamide Openeye Name: (Z)-2-cyano-N-cyclohexyl-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enamide CAS Name: (Z)-2-cyano-N-cyclohexyl-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-cyclohexyl-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]prop-2-enamide Traditional Name: (Z)-2-cyano-N-cyclohexyl-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]acrylamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C\C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H21N3O4S/c19-12-14(18(23)20-15-4-2-1-3-5-15)10-13-6-7-17(26-9-8-22)16(11-13)21(24)25/h6-7,10-11,15,22H,1-5,8-9H2,(H,20,23)/b14-10-