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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H22N4OS2/c26-19(24-12-4-8-17(24)18-9-5-13-27-18)14-28-21-22-20(15-10-11-15)25(23-21)16-6-2-1-3-7-16/h1-3,5-7,9,13,15,17H,4,8,10-12,14H2