2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C22H16ClN3OS2 MolecularWeight: 437.96494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

InChI

InChI=1S/C22H16ClN3OS2/c1-13-9-14(2)25-22(16(13)11-24)28-12-21(27)26-17-5-3-4-6-19(17)29-20-8-7-15(23)10-18(20)26/h3-10H,12H2,1-2H3