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

Systemtic Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[2-(3-methoxyphenyl)-1-pyrrolidinyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[2-(3-methoxyphenyl)pyrrolidino]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2C(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C19H20N4O2S2/c1-25-14-6-2-5-13(11-14)15-7-3-9-22(15)17(24)12-23-18(20-21-19(23)26)16-8-4-10-27-16/h2,4-6,8,10-11,15H,3,7,9,12H2,1H3,(H,21,26)