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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-pyridine CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-3-nitropyridine IUPAC Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitropyridine Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-3-nitro-pyridine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O2S/c1-2-3-5-12-7-9-13(10-8-12)21-16(18-19-20-21)25-15-14(22(23)24)6-4-11-17-15/h4,6-11H,2-3,5H2,1H3