6-(3,4-dimethylphenyl)-2-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 6-(3,4-dimethylphenyl)-2-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4,5-dihydropyridazin-3-one Openeye Name: 6-(3,4-dimethylphenyl)-2-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4,5-dihydropyridazin-3-one CAS Name: 6-(3,4-dimethylphenyl)-2-phenyl-5-(1H-1,2,4-triazol-5-ylthio)-4,5-dihydropyridazin-3-one IUPAC Name: 6-(3,4-dimethylphenyl)-2-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(3,4-dimethylphenyl)-2-phenyl-5-(1H-1,2,4-triazol-5-ylthio)-4,5-dihydropyridazin-3-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)CC2SC3=NC=NN3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)CC2SC3=NC=NN3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H19N5OS/c1-13-8-9-15(10-14(13)2)19-17(27-20-21-12-22-23-20)11-18(26)25(24-19)16-6-4-3-5-7-16/h3-10,12,17H,11H2,1-2H3,(H,21,22,23)