4,5,6-trimethyl-2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(3-keto-3-phenothiazin-10-yl-propyl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C24H21N3OS2 MolecularWeight: 431.57304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3OS2/c1-15-16(2)18(14-25)24(26-17(15)3)29-13-12-23(28)27-19-8-4-6-10-21(19)30-22-11-7-5-9-20(22)27/h4-11H,12-13H2,1-3H3