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

Systemtic Name: 6-butyl-2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]nicotinonitrile Formula: C24H20ClN3OS2 MolecularWeight: 466.0181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3OS2/c1-2-3-6-18-11-9-16(14-26)24(27-18)30-15-23(29)28-19-7-4-5-8-21(19)31-22-12-10-17(25)13-20(22)28/h4-5,7-13H,2-3,6,15H2,1H3