4-(3,4-dimethylphenyl)-2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(3,4-dimethylphenyl)-2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 4-(3,4-dimethylphenyl)-2-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 4-(3,4-dimethylphenyl)-2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 4-(3,4-dimethylphenyl)-2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 4-(3,4-dimethylphenyl)-2-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-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)C3=CC=CC=C32)CC4=NNC(=S)N4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NNC(=S)N4C)C

InChI

InChI=1S/C20H19N5OS/c1-12-8-9-14(10-13(12)2)18-15-6-4-5-7-16(15)19(26)25(23-18)11-17-21-22-20(27)24(17)3/h4-10H,11H2,1-3H3,(H,22,27)