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

Systemtic Name: 6-(4-methylphenyl)-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[1-(phenothiazine-10-carbonyl)propylthio]-6-(p-tolyl)nicotinonitrile Formula: C29H23N3OS2 MolecularWeight: 493.64242

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H23N3OS2/c1-3-25(35-28-21(18-30)16-17-22(31-28)20-14-12-19(2)13-15-20)29(33)32-23-8-4-6-10-26(23)34-27-11-7-5-9-24(27)32/h4-17,25H,3H2,1-2H3