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

Systemtic Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Openeye Name: [3-(4-methoxyphenyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-(o-tolyl)methanone CAS Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone IUPAC Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Traditional Name: [3-(4-methoxyphenyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-(o-tolyl)methanone Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)OC)NCC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)OC)NCC4=CC=CS4

InChI

InChI=1S/C22H20N4O2S/c1-15-6-3-4-8-19(15)21(27)26-22(23-14-18-7-5-13-29-18)24-20(25-26)16-9-11-17(28-2)12-10-16/h3-13H,14H2,1-2H3,(H,23,24,25)