2-(2-cyanophenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C24H21N3O5S/c1-31-20-13-16(19(27(29)30)14-21(20)32-2)11-12-26-24(28)18-8-4-6-10-23(18)33-22-9-5-3-7-17(22)15-25/h3-10,13-14H,11-12H2,1-2H3,(H,26,28)