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

Systemtic Name: N-(4-methoxyphenyl)-2-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[[2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[2-(2-keto-2-pyrrolidino-ethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2CC(=O)N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2CC(=O)N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H24N6O3S/c1-31-18-6-4-17(5-7-18)24-19(29)15-32-22-25-21(16-8-10-23-11-9-16)26-28(22)14-20(30)27-12-2-3-13-27/h4-11H,2-3,12-15H2,1H3,(H,24,29)