2-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetamide CAS Name: 2-[5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[5-[[2-keto-2-(p-anisidino)ethyl]thio]-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2CC(=O)NCC=C)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2CC(=O)NCC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N6O3S/c1-3-10-23-18(28)13-27-21(25-20(26-27)15-8-11-22-12-9-15)31-14-19(29)24-16-4-6-17(30-2)7-5-16/h3-9,11-12H,1,10,13-14H2,2H3,(H,23,28)(H,24,29)