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

Systemtic Name: 6-butyl-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[1-(phenothiazine-10-carbonyl)propylthio]nicotinonitrile Formula: C26H25N3OS2 MolecularWeight: 459.6262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C26H25N3OS2/c1-3-5-10-19-16-15-18(17-27)25(28-19)32-22(4-2)26(30)29-20-11-6-8-13-23(20)31-24-14-9-7-12-21(24)29/h6-9,11-16,22H,3-5,10H2,1-2H3