(Z)-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (Z)-2-benzoyl-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]prop-2-enenitrile CAS Name: (Z)-2-benzoyl-3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-benzoyl-3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-benzoyl-3-[2-[(4-chlorophenyl)thio]-5-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=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

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

InChI

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