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

Systemtic Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-phenyl-prop-2-enamide Openeye Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-N-phenyl-prop-2-enamide CAS Name: (Z)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-N-phenyl-2-propenamide IUPAC Name: (Z)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]-N-phenylprop-2-enamide Traditional Name: (Z)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]-N-phenyl-acrylamide Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/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/h1-7,10-11,22H,8-9H2,(H,20,23)/b14-10-