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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N2CCCC2C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N2CCCC2C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N4O2S2/c1-3-4-13-27-22(17-9-11-18(29-2)12-10-17)24-25-23(27)31-16-21(28)26-14-5-7-19(26)20-8-6-15-30-20/h6,8-12,15,19H,3-5,7,13-14,16H2,1-2H3