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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C18H15N5OS/c1-12-6-2-5-9-15(12)23-16(20-21-18(23)25)11-22-17(24)14-8-4-3-7-13(14)10-19-22/h2-10H,11H2,1H3,(H,21,25)