N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-3-phenyl-phthalazine-1-carboxamide Formula: C25H18N4O2S2 MolecularWeight: 470.56602

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O2S2/c1-32-18-13-11-16(12-14-18)21-15-33-25(26-21)27-23(30)22-19-9-5-6-10-20(19)24(31)29(28-22)17-7-3-2-4-8-17/h2-15H,1H3,(H,26,27,30)