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

Systemtic Name: 2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[(3-keto-3-phenothiazin-10-yl-propyl)thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C26H23N3OS2 MolecularWeight: 457.61032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H23N3OS2/c27-17-19-16-18-8-2-1-3-9-20(18)28-26(19)31-15-14-25(30)29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4-7,10-13,16H,1-3,8-9,14-15H2