2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC(=CC2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC(=CC2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5OS/c1-2-27-21(19-8-12-23-13-9-19)24-25-22(27)29-16-20(28)26-14-10-18(11-15-26)17-6-4-3-5-7-17/h3-10,12-13H,2,11,14-16H2,1H3