1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C26H25N5OS/c32-24(30-17-6-10-21-9-4-5-11-23(21)30)19-33-26-29-28-25(22-12-15-27-16-13-22)31(26)18-14-20-7-2-1-3-8-20/h1-5,7-9,11-13,15-16H,6,10,14,17-19H2