6-(3-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-chlorophenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3-chlorophenyl)-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C18H11ClN4O3S MolecularWeight: 398.82294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClN4O3S/c19-13-3-1-2-12(8-13)16-15(9-20)17(24)22-18(21-16)27-10-11-4-6-14(7-5-11)23(25)26/h1-8H,10H2,(H,21,22,24)