4-(3,4-dimethylphenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(3,4-dimethylphenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]phthalazin-1-one Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-4-(3,4-dimethylphenyl)phthalazin-1-one CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-4-(3,4-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-4-(3,4-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-4-(3,4-dimethylphenyl)phthalazin-1-one Formula: C25H21N5OS MolecularWeight: 439.53214

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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=NN=C(S4)NC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NN=C(S4)NC5=CC=CC=C5)C

InChI

InChI=1S/C25H21N5OS/c1-16-12-13-18(14-17(16)2)23-20-10-6-7-11-21(20)24(31)30(29-23)15-22-27-28-25(32-22)26-19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,26,28)