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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-phenethyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-phenethyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-oxo-6-phenethyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-phenethyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-6-phenethyl-1H-pyrimidine-5-carbonitrile Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H16ClN3OS/c21-16-9-6-15(7-10-16)13-26-20-23-18(17(12-22)19(25)24-20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11,13H2,(H,23,24,25)