2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-phenothiazin-10-ylethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C26H21N3O2S2 MolecularWeight: 471.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H21N3O2S2/c1-17-15-20(18-11-13-19(31-2)14-12-18)28-26(27-17)32-16-25(30)29-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)29/h3-15H,16H2,1-2H3