1-(2-chloranylphenothiazin-10-yl)-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-ethanone

Systemtic Name: 1-(2-chloranylphenothiazin-10-yl)-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-(2-chlorophenothiazin-10-yl)-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-(2-chlorophenothiazin-10-yl)-2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]ethanone Formula: C27H20ClN5OS2 MolecularWeight: 530.0636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)N4C5=CC=CC=C5SC6=C4C=C(C=C6)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)N4C5=CC=CC=C5SC6=C4C=C(C=C6)Cl)C

InChI

InChI=1S/C27H20ClN5OS2/c1-16-13-17(2)33(31-16)26-19-7-3-4-8-20(19)27(30-29-26)35-15-25(34)32-21-9-5-6-10-23(21)36-24-12-11-18(28)14-22(24)32/h3-14H,15H2,1-2H3