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

Systemtic Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[2-(3-methoxyphenyl)-1-pyrrolidinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[2-(3-methoxyphenyl)pyrrolidino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-3-6-16-19-20-18(25)22(16)12-17(23)21-10-5-9-15(21)13-7-4-8-14(11-13)24-2/h4,7-8,11,15H,3,5-6,9-10,12H2,1-2H3,(H,20,25)