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

Systemtic Name: 2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-pyridine CAS Name: 2-[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]-3-nitropyridine IUPAC Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitropyridine Traditional Name: 2-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]-3-nitro-pyridine Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N6O2S/c1-9-6-10(2)8-11(7-9)19-14(16-17-18-19)23-13-12(20(21)22)4-3-5-15-13/h3-8H,1-2H3