2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[1-(phenothiazine-10-carbonyl)propylthio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C27H25N3OS2 MolecularWeight: 471.6369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(CCCCC5)C=C4C#N

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(CCCCC5)C=C4C#N

InChI

InChI=1S/C27H25N3OS2/c1-2-23(33-26-19(17-28)16-18-10-4-3-5-11-20(18)29-26)27(31)30-21-12-6-8-14-24(21)32-25-15-9-7-13-22(25)30/h6-9,12-16,23H,2-5,10-11H2,1H3