5-ethanoyl-6-methyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-methyl-nicotinonitrile Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C#N)C(=O)C

InChI

InChI=1S/C23H17N3O2S2/c1-14-17(15(2)27)11-16(12-24)23(25-14)29-13-22(28)26-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)26/h3-11H,13H2,1-2H3