3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazin-5-one CAS Name: 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-2H-1,2,4-triazin-5-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=O)C(=NN3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=O)C(=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c26-19(25-12-6-10-16-9-4-5-11-18(16)25)14-28-21-22-20(27)17(23-24-21)13-15-7-2-1-3-8-15/h1-5,7-9,11H,6,10,12-14H2,(H,22,24,27)