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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O3S/c17-15(23)12-6-7-13(14(8-12)22(24)25)10-26-16-18-19-20-21(16)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,17,23)