6-methyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-methyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-methyl-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-methyl-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N

InChI

InChI=1S/C25H21N3OS2/c1-16-10-11-19-17(12-16)13-18(14-26)25(27-19)30-15-24(29)28-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)28/h2-9,13,16H,10-12,15H2,1H3