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

Systemtic Name: 6-(4-methoxyphenyl)-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-[1-(phenothiazine-10-carbonyl)propylthio]nicotinonitrile Formula: C29H23N3O2S2 MolecularWeight: 509.64182

Click to see the large picture

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)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H23N3O2S2/c1-3-25(29(33)32-23-8-4-6-10-26(23)35-27-11-7-5-9-24(27)32)36-28-20(18-30)14-17-22(31-28)19-12-15-21(34-2)16-13-19/h4-17,25H,3H2,1-2H3