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

Systemtic Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCC(=CC2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCC(=CC2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-25-20(18-8-5-11-22-14-18)23-24-21(25)28-15-19(27)26-12-9-17(10-13-26)16-6-3-2-4-7-16/h2-9,11,14H,10,12-13,15H2,1H3