6-(4-chlorophenyl)-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-2-[1-(phenothiazine-10-carbonyl)propylthio]nicotinonitrile Formula: C28H20ClN3OS2 MolecularWeight: 514.0609

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C28H20ClN3OS2/c1-2-24(35-27-19(17-30)13-16-21(31-27)18-11-14-20(29)15-12-18)28(33)32-22-7-3-5-9-25(22)34-26-10-6-4-8-23(26)32/h3-16,24H,2H2,1H3