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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-5-nitro-pyridine CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-5-nitropyridine IUPAC Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-5-nitropyridine Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-5-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=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O2S/c1-2-3-4-12-5-7-13(8-6-12)21-16(18-19-20-21)25-15-10-9-14(11-17-15)22(23)24/h5-11H,2-4H2,1H3