1-[2-(phenylmethyl)pyrrolidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[2-(phenylmethyl)pyrrolidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-(2-benzylpyrrolidin-1-yl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[2-(phenylmethyl)-1-pyrrolidinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-(2-benzylpyrrolidin-1-yl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(2-benzylpyrrolidino)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCCC2CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCCC2CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS/c1-2-7-16-19-20-18(24)22(16)13-17(23)21-11-6-10-15(21)12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,20,24)