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

Systemtic Name: 1-(2-phenylpyrrolidin-1-yl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-(2-phenylpyrrolidin-1-yl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-(2-phenyl-1-pyrrolidinyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-(2-phenylpyrrolidin-1-yl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(2-phenylpyrrolidino)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-2-7-15-18-19-17(23)21(15)12-16(22)20-11-6-10-14(20)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,19,23)