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

Systemtic Name: 4-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-(3-pyridyl)quinazoline CAS Name: 4-[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-pyridin-3-ylquinazoline Traditional Name: 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]-2-(3-pyridyl)quinazoline Formula: C22H17N7S MolecularWeight: 411.48228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)C

InChI

InChI=1S/C22H17N7S/c1-14-7-5-11-19(15(14)2)29-22(26-27-28-29)30-21-17-9-3-4-10-18(17)24-20(25-21)16-8-6-12-23-13-16/h3-13H,1-2H3