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

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

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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)CC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3OS2/c1-4-22(32-25-18(16-27)13-14-19(28-25)15-17(2)3)26(30)29-20-9-5-7-11-23(20)31-24-12-8-6-10-21(24)29/h5-14,17,22H,4,15H2,1-3H3