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

Systemtic Name: (Z)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-2-(3-nitrobenzoyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enenitrile CAS Name: (Z)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (Z)-2-(3-nitrobenzoyl)-3-[3-nitro-4-(p-tolylthio)phenyl]acrylonitrile Formula: C23H15N3O5S MolecularWeight: 445.4473

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5S/c1-15-5-8-20(9-6-15)32-22-10-7-16(12-21(22)26(30)31)11-18(14-24)23(27)17-3-2-4-19(13-17)25(28)29/h2-13H,1H3/b18-11-