4-(4-chlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylthio]-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]-6-oxopyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-keto-1-(4-nitrobenzyl)-2-[(4-nitrobenzyl)thio]pyrimidine-5-carbonitrile Formula: C25H16ClN5O5S MolecularWeight: 533.94304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C(=C(N=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C(=C(N=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H16ClN5O5S/c26-19-7-5-18(6-8-19)23-22(13-27)24(32)29(14-16-1-9-20(10-2-16)30(33)34)25(28-23)37-15-17-3-11-21(12-4-17)31(35)36/h1-12H,14-15H2