4,5,6-trimethyl-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[1-(phenothiazine-10-carbonyl)propylthio]nicotinonitrile Formula: C25H23N3OS2 MolecularWeight: 445.59962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC(=C(C(=C4C#N)C)C)C

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC(=C(C(=C4C#N)C)C)C

InChI

InChI=1S/C25H23N3OS2/c1-5-21(31-24-18(14-26)16(3)15(2)17(4)27-24)25(29)28-19-10-6-8-12-22(19)30-23-13-9-7-11-20(23)28/h6-13,21H,5H2,1-4H3