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

Systemtic Name: 4-cyclopropyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C16H18N4O2S/c21-14(19-8-7-11-3-1-2-4-12(11)9-19)10-23-16-18-17-15(22)20(16)13-5-6-13/h1-4,13H,5-10H2,(H,17,22)