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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)C5=CC=CS5

InChI

InChI=1S/C22H24N4OS2/c27-20(25-12-4-8-18(25)19-9-5-13-28-19)15-29-22-24-23-21(17-10-11-17)26(22)14-16-6-2-1-3-7-16/h1-3,5-7,9,13,17-18H,4,8,10-12,14-15H2