2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c27-19(25-13-4-5-14-25)16-28-21-24-23-20(18-8-11-22-12-9-18)26(21)15-10-17-6-2-1-3-7-17/h1-3,6-9,11-12H,4-5,10,13-16H2