N-(3-cyanophenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-(3-cyanophenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-(3-cyanophenyl)-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-(3-cyanophenyl)-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-(3-cyanophenyl)-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-(3-cyanophenyl)-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C22H15N3O4S MolecularWeight: 417.4372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O4S/c1-30-20-10-9-15(12-19(20)25(28)29)21(26)17-7-2-3-8-18(17)22(27)24-16-6-4-5-14(11-16)13-23/h2-12H,1H3,(H,24,27)