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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-benzyl-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C16H14N6O3S MolecularWeight: 370.38576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O3S/c1-21-16(18-19-20-21)26-14-8-7-12(22(24)25)9-13(14)15(23)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,23)