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

Systemtic Name: 4-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[(1-p-anisyltetrazol-5-yl)thio]methyl]benzamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4S/c1-27-14-6-2-11(3-7-14)9-22-17(19-20-21-22)28-10-13-5-4-12(16(18)24)8-15(13)23(25)26/h2-8H,9-10H2,1H3,(H2,18,24)