6-(2-aminophenyl)-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(2-aminophenyl)-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-(2-aminophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-(2-aminophenyl)-3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-(2-aminophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-(2-aminophenyl)-3-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-2H-1,2,4-triazin-5-one Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=NN3)C4=CC=CC=C4N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=NN3)C4=CC=CC=C4N

InChI

InChI=1S/C20H18N6O2S/c21-15-9-5-4-8-14(15)18-19(28)22-20(24-23-18)29-12-17(27)26-11-10-16(25-26)13-6-2-1-3-7-13/h1-9H,10-12,21H2,(H,22,24,28)