4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methylphenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methylphenyl]-2-methylphthalazin-1-one Traditional Name: 4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one Formula: C24H19N3OS2 MolecularWeight: 429.55716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H19N3OS2/c1-15-11-12-16(22-18-7-3-4-8-19(18)23(28)27(2)26-22)13-17(15)14-29-24-25-20-9-5-6-10-21(20)30-24/h3-13H,14H2,1-2H3