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

Systemtic Name: N-(3-ethanoylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(3-acetylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(3-acetylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(3-acetylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(3-acetylphenyl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C17H14N6O4S/c1-10(24)11-4-3-5-12(8-11)18-16(25)14-9-13(23(26)27)6-7-15(14)28-17-19-20-21-22(17)2/h3-9H,1-2H3,(H,18,25)