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

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5OS/c1-24-18(16-9-11-21-12-10-16)22-23-20(24)27-17(15-7-3-2-4-8-15)19(26)25-13-5-6-14-25/h2-4,7-12,17H,5-6,13-14H2,1H3