N-(4-cyanophenyl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide

Systemtic Name: N-(4-cyanophenyl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-(4-cyanophenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-(4-cyanophenyl)-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-(4-cyanophenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-(4-cyanophenyl)-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C21H13N7O3S MolecularWeight: 443.43802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H13N7O3S/c22-13-14-6-8-15(9-7-14)23-20(29)18-12-17(28(30)31)10-11-19(18)32-21-24-25-26-27(21)16-4-2-1-3-5-16/h1-12H,(H,23,29)