2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[(4-chlorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C19H16ClN2OS- MolecularWeight: 355.86114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Cl)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Cl)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN2OS/c1-13-17(11-14-5-3-2-4-6-14)18(23)22-19(21-13)24-12-15-7-9-16(20)10-8-15/h2-10H,11-12H2,1H3,(H,21,22,23)/p-1