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

Systemtic Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 2-phenoxy-1-[3-(p-tolyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 2-phenoxy-1-[3-(p-tolyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C(C)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C(C)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-16-10-12-18(13-11-16)21-25-23(24-15-20-9-6-14-30-20)27(26-21)22(28)17(2)29-19-7-4-3-5-8-19/h3-14,17H,15H2,1-2H3,(H,24,25,26)