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

Systemtic Name: 2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyrimidine Openeye Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpyrimidine CAS Name: 2-[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]pyrimidine IUPAC Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpyrimidine Traditional Name: 2-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]pyrimidine Formula: C13H12N6S MolecularWeight: 284.33958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=N2)SC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=N2)SC3=NC=CC=N3)C

InChI

InChI=1S/C13H12N6S/c1-9-6-10(2)8-11(7-9)19-13(16-17-18-19)20-12-14-4-3-5-15-12/h3-8H,1-2H3