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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(2,5-dimethylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C17H16N6O3S/c1-10-4-5-11(2)14(8-10)18-16(24)13-9-12(23(25)26)6-7-15(13)27-17-19-20-21-22(17)3/h4-9H,1-3H3,(H,18,24)