4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]methyl]-3-nitro-benzamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3S/c1-10-4-3-5-11(2)15(10)22-17(19-20-21-22)27-9-13-7-6-12(16(18)24)8-14(13)23(25)26/h3-8H,9H2,1-2H3,(H2,18,24)