2-azanyl-6-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-4-phenyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-4-phenyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[1-(phenothiazine-10-carbonyl)propylsulfanyl]-4-phenyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-4-phenylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[1-(phenothiazine-10-carbonyl)propylthio]-4-phenyl-dinicotinonitrile Formula: C29H21N5OS2 MolecularWeight: 519.63994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21N5OS2/c1-2-23(29(35)34-21-12-6-8-14-24(21)36-25-15-9-7-13-22(25)34)37-28-20(17-31)26(18-10-4-3-5-11-18)19(16-30)27(32)33-28/h3-15,23H,2H2,1H3,(H2,32,33)