N-(2-methylsulfanylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-methylsulfanylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(methylthio)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-methylsulfanylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(methylthio)phenyl]phthalazine-1-carboxamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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