2-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 2-methyl-1-[3-(p-tolyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 2-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 2-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 2-methyl-1-[3-(p-tolyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C18H20N4OS MolecularWeight: 340.4426

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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-12(2)17(23)22-18(19-11-15-5-4-10-24-15)20-16(21-22)14-8-6-13(3)7-9-14/h4-10,12H,11H2,1-3H3,(H,19,20,21)