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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C23H21N5OS2 MolecularWeight: 447.57574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C5=CC=CS5

InChI

InChI=1S/C23H21N5OS2/c29-21(27-13-5-10-19(27)20-11-6-14-30-20)16-31-23-26-25-22(17-7-4-12-24-15-17)28(23)18-8-2-1-3-9-18/h1-4,6-9,11-12,14-15,19H,5,10,13,16H2