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

Systemtic Name: 2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[1-(phenothiazine-10-carbonyl)propylthio]-6-phenyl-nicotinonitrile Formula: C28H21N3OS2 MolecularWeight: 479.61584

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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=CC=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H21N3OS2/c1-2-24(34-27-20(18-29)16-17-21(30-27)19-10-4-3-5-11-19)28(32)31-22-12-6-8-14-25(22)33-26-15-9-7-13-23(26)31/h3-17,24H,2H2,1H3