4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-pyridyl)quinazoline CAS Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-2-(3-pyridyl)quinazoline Formula: C21H16N6S2 MolecularWeight: 416.52194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C21H16N6S2/c1-27-18(12-15-7-5-11-28-15)25-26-21(27)29-20-16-8-2-3-9-17(16)23-19(24-20)14-6-4-10-22-13-14/h2-11,13H,12H2,1H3