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

Systemtic Name: 6-tert-butyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H27N3OS2 MolecularWeight: 485.66348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N

InChI

InChI=1S/C28H27N3OS2/c1-28(2,3)20-12-13-21-18(15-20)14-19(16-29)27(30-21)33-17-26(32)31-22-8-4-6-10-24(22)34-25-11-7-5-9-23(25)31/h4-11,14,20H,12-13,15,17H2,1-3H3