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

Systemtic Name: 2-[2-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C19H17N5OS/c1-13-6-2-5-9-16(13)24-17(21-22-19(24)26)10-11-23-18(25)15-8-4-3-7-14(15)12-20-23/h2-9,12H,10-11H2,1H3,(H,22,26)