3-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H22N4O2S MolecularWeight: 346.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N4O2S/c1-3-9-21-16(23)18-19-17(21)24-12(2)15(22)20-10-8-13-6-4-5-7-14(13)11-20/h4-7,12H,3,8-11H2,1-2H3,(H,18,23)