6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC(=O)NC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC(=O)NC3=O

InChI

InChI=1S/C14H14N4O3S/c19-11(8-22-13-12(20)15-14(21)17-16-13)18-6-5-9-3-1-2-4-10(9)7-18/h1-4H,5-8H2,(H2,15,17,20,21)