2-[[4-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-oxidanylidene-6-phenyl-5H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[4-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-oxidanylidene-6-phenyl-5H-pyrimidine-5-carbonitrile Openeye Name: 2-[[4-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-oxo-6-phenyl-5H-pyrimidine-5-carbonitrile CAS Name: 2-[[4-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]phenyl]methylthio]-4-oxo-6-phenyl-5H-pyrimidine-5-carbonitrile IUPAC Name: 2-[[4-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-oxo-6-phenyl-5H-pyrimidine-5-carbonitrile Traditional Name: 2-[[4-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzyl]thio]-4-keto-6-phenyl-5H-pyrimidine-5-carbonitrile Formula: C30H20N6O2S2 MolecularWeight: 560.6488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC(=O)C2C#N)SCC3=CC=C(C=C3)CSC4=NC(=O)C(=C(N4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC(=O)C2C#N)SCC3=CC=C(C=C3)CSC4=NC(=O)C(=C(N4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C30H20N6O2S2/c31-15-23-25(21-7-3-1-4-8-21)33-29(35-27(23)37)39-17-19-11-13-20(14-12-19)18-40-30-34-26(22-9-5-2-6-10-22)24(16-32)28(38)36-30/h1-14,23H,17-18H2,(H,34,36,38)