N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-[4-(methylthio)phenyl]methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-[4-(methylthio)benzylidene]amino]phthalazine-1-carboxamide Formula: C24H20N4O2S MolecularWeight: 428.5062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O2S/c1-31-19-13-11-17(12-14-19)15-25-26-23(29)22-20-9-5-6-10-21(20)24(30)28(27-22)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,29)/b25-15+