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

Systemtic Name: N-cyclopropyl-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclopropyl-2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclopropyl-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclopropyl-2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3CC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3CC3)C4=CC=NC=C4)C

InChI

InChI=1S/C20H21N5OS/c1-13-3-6-17(11-14(13)2)25-19(15-7-9-21-10-8-15)23-24-20(25)27-12-18(26)22-16-4-5-16/h3,6-11,16H,4-5,12H2,1-2H3,(H,22,26)