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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C19H20N4O2S2/c1-25-14-8-6-13(7-9-14)18-20-19(22-21-18)27-12-17(24)23-10-2-4-15(23)16-5-3-11-26-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,20,21,22)