2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C26H20ClN3O2S3 MolecularWeight: 538.1039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C26H20ClN3O2S3/c1-16-6-9-19(10-7-16)33-14-18-13-24(31)29-26(28-18)34-15-25(32)30-20-4-2-3-5-22(20)35-23-11-8-17(27)12-21(23)30/h2-13H,14-15H2,1H3,(H,28,29,31)