[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [3-(p-tolyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone CAS Name: [3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [3-(p-tolyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone Formula: C20H17N5OS MolecularWeight: 375.44688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H17N5OS/c1-14-6-8-15(9-7-14)18-23-20(22-13-17-5-3-11-27-17)25(24-18)19(26)16-4-2-10-21-12-16/h2-12H,13H2,1H3,(H,22,23,24)