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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-nitrophenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(4-nitrobenzyl)thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H12N4O3S MolecularWeight: 364.37788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O3S/c19-10-15-16(13-4-2-1-3-5-13)20-18(21-17(15)23)26-11-12-6-8-14(9-7-12)22(24)25/h1-9H,11H2,(H,20,21,23)