4-(4-chlorophenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-benzylsulfanyl-4-(4-chlorophenyl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-oxo-1-(phenylmethyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-benzylsulfanyl-4-(4-chlorophenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-(benzylthio)-4-(4-chlorophenyl)-6-keto-pyrimidine-5-carbonitrile Formula: C25H18ClN3OS MolecularWeight: 443.94792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(N=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(N=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C25H18ClN3OS/c26-21-13-11-20(12-14-21)23-22(15-27)24(30)29(16-18-7-3-1-4-8-18)25(28-23)31-17-19-9-5-2-6-10-19/h1-14H,16-17H2