N-(1H-benzimidazol-2-yl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1H-benzimidazol-2-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(1H-benzimidazol-2-yl)-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(1H-benzimidazol-2-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-(1H-benzimidazol-2-yl)-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzamide Formula: C16H12N8O3S MolecularWeight: 396.38328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N8O3S/c1-23-16(20-21-22-23)28-13-7-6-9(8-12(13)24(26)27)14(25)19-15-17-10-4-2-3-5-11(10)18-15/h2-8H,1H3,(H2,17,18,19,25)