N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-methylsulfanylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-methylsulfanylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(methylthio)phenyl]phthalazine-1-carboxamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c1-29-18-11-7-10-17(14-18)24-22(27)21-19-12-5-6-13-20(19)23(28)26(25-21)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,24,27)