2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H11Cl2N3OS MolecularWeight: 388.27044

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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)Cl)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C18H11Cl2N3OS/c19-14-7-6-11(8-15(14)20)10-25-18-22-16(12-4-2-1-3-5-12)13(9-21)17(24)23-18/h1-8H,10H2,(H,22,23,24)