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

Systemtic Name: (Z)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (Z)-3-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (Z)-3-[4-[(4-chlorophenyl)thio]-3-nitro-phenyl]-2-(3-nitrobenzoyl)acrylonitrile Formula: C22H12ClN3O5S MolecularWeight: 465.86578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H12ClN3O5S/c23-17-5-7-19(8-6-17)32-21-9-4-14(11-20(21)26(30)31)10-16(13-24)22(27)15-2-1-3-18(12-15)25(28)29/h1-12H/b16-10-