2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[oxo-(2-thiophen-2-ylethylamino)methyl]acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide Formula: C23H22N6O3S2 MolecularWeight: 494.58918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C23H22N6O3S2/c1-32-18-6-4-17(5-7-18)29-21(16-8-11-24-12-9-16)27-28-23(29)34-15-20(30)26-22(31)25-13-10-19-3-2-14-33-19/h2-9,11-12,14H,10,13,15H2,1H3,(H2,25,26,30,31)