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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[3-(4-methoxyphenyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[3-(4-methoxyphenyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-13(2)11-17(24)23-19(20-12-16-5-4-10-26-16)21-18(22-23)14-6-8-15(25-3)9-7-14/h4-10,13H,11-12H2,1-3H3,(H,20,21,22)