N-(3-chlorophenyl)-2-(4,5-dicyano-2-nitro-phenyl)sulfanyl-benzamide

Systemtic Name: N-(3-chlorophenyl)-2-(4,5-dicyano-2-nitro-phenyl)sulfanyl-benzamide Openeye Name: N-(3-chlorophenyl)-2-(4,5-dicyano-2-nitro-phenyl)sulfanyl-benzamide CAS Name: N-(3-chlorophenyl)-2-[(4,5-dicyano-2-nitrophenyl)thio]benzamide IUPAC Name: N-(3-chlorophenyl)-2-(4,5-dicyano-2-nitrophenyl)sulfanylbenzamide Traditional Name: N-(3-chlorophenyl)-2-[(4,5-dicyano-2-nitro-phenyl)thio]benzamide Formula: C21H11ClN4O3S MolecularWeight: 434.85504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)SC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)SC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H11ClN4O3S/c22-15-4-3-5-16(10-15)25-21(27)17-6-1-2-7-19(17)30-20-9-14(12-24)13(11-23)8-18(20)26(28)29/h1-10H,(H,25,27)