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

Systemtic Name: 2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3-keto-3-phenothiazin-10-yl-propyl)thio]-6-phenyl-nicotinonitrile Formula: C27H19N3OS2 MolecularWeight: 465.58926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H19N3OS2/c28-18-20-14-15-21(19-8-2-1-3-9-19)29-27(20)32-17-16-26(31)30-22-10-4-6-12-24(22)33-25-13-7-5-11-23(25)30/h1-15H,16-17H2