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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzamide Formula: C16H12N6O5S MolecularWeight: 400.36868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O5S/c1-21-16(18-19-20-21)28-14-5-2-9(6-11(14)22(24)25)15(23)17-10-3-4-12-13(7-10)27-8-26-12/h2-7H,8H2,1H3,(H,17,23)