N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-keto-phthalazine-1-carboxamide Formula: C30H25N3O2S MolecularWeight: 491.6034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C30H25N3O2S/c1-20-12-13-21(2)27(18-20)36-24-16-14-23(15-17-24)31-29(34)28-25-10-6-7-11-26(25)30(35)33(32-28)19-22-8-4-3-5-9-22/h3-18H,19H2,1-2H3,(H,31,34)