(Z)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (Z)-2-benzoyl-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enenitrile CAS Name: (Z)-2-benzoyl-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-benzoyl-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-benzoyl-3-[3-nitro-4-(p-tolylthio)phenyl]acrylonitrile Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O3S/c1-16-7-10-20(11-8-16)29-22-12-9-17(14-21(22)25(27)28)13-19(15-24)23(26)18-5-3-2-4-6-18/h2-14H,1H3/b19-13-