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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16N6O4S/c1-22-17(19-20-21-22)28-15-8-5-12(23(25)26)9-14(15)16(24)18-10-11-3-6-13(27-2)7-4-11/h3-9H,10H2,1-2H3,(H,18,24)