2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)propanamide IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylpropanamide Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)propionamide Formula: C22H21N7OS MolecularWeight: 431.51344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=NC=CC=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=NC=CC=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C22H21N7OS/c1-14-5-6-18(13-15(14)2)29-19(17-7-11-23-12-8-17)27-28-22(29)31-16(3)20(30)26-21-24-9-4-10-25-21/h4-13,16H,1-3H3,(H,24,25,26,30)