2-[(4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C23H23N5OS MolecularWeight: 417.52662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3CCC(=CC3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3CCC(=CC3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H23N5OS/c29-21(27-13-10-18(11-14-27)17-5-2-1-3-6-17)16-30-23-26-25-22(28(23)20-8-9-20)19-7-4-12-24-15-19/h1-7,10,12,15,20H,8-9,11,13-14,16H2