2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-[2-(4-pyridyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(2-pyridin-4-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-[2-(4-pyridyl)pyrrolidino]ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCCC2C3=CC=NC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCCC2C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c1-2-4-14-18-19-16(23)21(14)11-15(22)20-10-3-5-13(20)12-6-8-17-9-7-12/h6-9,13H,2-5,10-11H2,1H3,(H,19,23)