4,6-dimethyl-2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(3-keto-3-phenothiazin-10-yl-propyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C23H19N3OS2/c1-15-13-16(2)25-23(17(15)14-24)28-12-11-22(27)26-18-7-3-5-9-20(18)29-21-10-6-4-8-19(21)26/h3-10,13H,11-12H2,1-2H3