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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c1-2-26-19(17-10-12-22-13-11-17)23-24-21(26)28-18(16-8-4-3-5-9-16)20(27)25-14-6-7-15-25/h3-5,8-13,18H,2,6-7,14-15H2,1H3