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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(4-methoxyphenyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-11(21)20-16(17-10-14-4-3-9-23-14)18-15(19-20)12-5-7-13(22-2)8-6-12/h3-9H,10H2,1-2H3,(H,17,18,19)