6-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(4-nitrobenzyl)thio]-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H14N4O3S/c1-12-2-6-14(7-3-12)17-16(10-20)18(24)22-19(21-17)27-11-13-4-8-15(9-5-13)23(25)26/h2-9H,11H2,1H3,(H,21,22,24)