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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[3-(4-methoxyphenyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[3-(4-methoxyphenyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CS3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=CS3)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-16(30-19-7-4-3-5-8-19)22(28)27-23(24-15-20-9-6-14-31-20)25-21(26-27)17-10-12-18(29-2)13-11-17/h3-14,16H,15H2,1-2H3,(H,24,25,26)