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

Systemtic Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-4-6-17-20-21-19(27)23(17)12-18(24)22-10-5-7-15(22)14-9-8-13(25-2)11-16(14)26-3/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,21,27)