2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-6-propyl-pyridine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C25H23N3OS2/c1-3-9-18-15-14-17(16-26)24(27-18)31-21(4-2)25(29)28-19-10-5-7-12-22(19)30-23-13-8-6-11-20(23)28/h5-8,10-15,21H,3-4,9H2,1-2H3