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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyridyl)acetamide CAS Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-pyridin-4-ylacetamide IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-ylacetamide Traditional Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyridyl)acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=NC=C3)C

InChI

InChI=1S/C17H17N5OS/c1-12-3-4-15(9-13(12)2)22-11-19-21-17(22)24-10-16(23)20-14-5-7-18-8-6-14/h3-9,11H,10H2,1-2H3,(H,18,20,23)