2-[[1-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[1-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[1-(3-cyanophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[[1-(3-cyanophenyl)-5-tetrazolyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[1-(3-cyanophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[1-(3-cyanophenyl)tetrazol-5-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C16H11N7O3S MolecularWeight: 381.36864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H11N7O3S/c17-9-11-4-3-5-12(8-11)22-16(19-20-21-22)27-10-15(24)18-13-6-1-2-7-14(13)23(25)26/h1-8H,10H2,(H,18,24)