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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCC3=CC=CC=C3C2

InChI

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