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

Systemtic Name: (Z)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (Z)-2-benzoyl-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile CAS Name: (Z)-2-benzoyl-3-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-benzoyl-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-benzoyl-3-[4-[(4-chlorophenyl)thio]-3-nitro-phenyl]acrylonitrile Formula: C22H13ClN2O3S MolecularWeight: 420.86822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C\C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H13ClN2O3S/c23-18-7-9-19(10-8-18)29-21-11-6-15(13-20(21)25(27)28)12-17(14-24)22(26)16-4-2-1-3-5-16/h1-13H/b17-12-