N-(4-chloranyl-2-methyl-phenyl)-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-[[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-chloro-2-methylphenyl)-2-[[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-chloro-2-methylphenyl)-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-[[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]thio]acetamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C21H20ClN3O2S2/c1-13-3-6-17(7-4-13)28-11-16-10-19(26)25-21(23-16)29-12-20(27)24-18-8-5-15(22)9-14(18)2/h3-10H,11-12H2,1-2H3,(H,24,27)(H,23,25,26)