4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-4-methyl-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]-6-keto-4-methyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16ClN3OS/c1-14-10-19(25)24(12-16-8-6-15(11-22)7-9-16)20(23-14)26-13-17-4-2-3-5-18(17)21/h2-10H,12-13H2,1H3