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

Systemtic Name: 2-(4-methoxyphenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-(4-methoxyphenyl)-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-(4-methoxyphenyl)-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C21H19N5O2S/c1-28-17-8-6-15(7-9-17)12-19(27)26-21(23-14-18-5-3-11-29-18)24-20(25-26)16-4-2-10-22-13-16/h2-11,13H,12,14H2,1H3,(H,23,24,25)