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

Systemtic Name: 3-nitro-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine Openeye Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-3-nitro-pyridine CAS Name: 3-nitro-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]pyridine IUPAC Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-3-nitropyridine Traditional Name: 2-[(1-benzyltetrazol-5-yl)thio]-3-nitro-pyridine Formula: C13H10N6O2S MolecularWeight: 314.3225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O2S/c20-19(21)11-7-4-8-14-12(11)22-13-15-16-17-18(13)9-10-5-2-1-3-6-10/h1-8H,9H2