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

Systemtic Name: 3-nitro-4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzamide Openeye Name: 4-(1-benzyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[1-(phenylmethyl)-5-tetrazolyl]thio]benzamide IUPAC Name: 4-(1-benzyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(1-benzyltetrazol-5-yl)thio]-3-nitro-benzamide Formula: C15H12N6O3S MolecularWeight: 356.35918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O3S/c16-14(22)11-6-7-13(12(8-11)21(23)24)25-15-17-18-19-20(15)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,22)