2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C25H22N6OS MolecularWeight: 454.54678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C5=CN=CC=C5)C

InChI

InChI=1S/C25H22N6OS/c1-15-9-10-20(17(3)12-15)31-23(18-7-5-11-26-13-18)29-30-25(31)33-14-21-27-22-16(2)6-4-8-19(22)24(32)28-21/h4-13H,14H2,1-3H3,(H,27,28,32)