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

Systemtic Name: 2-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-phenylacetamide IUPAC Name: 2-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-phenylacetamide Traditional Name: 2-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(4-pyridyl)-1,2,4-triazol-1-yl]-N-phenyl-acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=NN2CC(=O)NC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=NN2CC(=O)NC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6O2S/c28-18(23-17-6-2-1-3-7-17)14-27-21(30-15-19(29)26-12-4-5-13-26)24-20(25-27)16-8-10-22-11-9-16/h1-3,6-11H,4-5,12-15H2,(H,23,28)