2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4,6-diphenyl-nicotinonitrile Formula: C32H21N3OS2 MolecularWeight: 527.65864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C32H21N3OS2/c33-20-25-24(22-11-3-1-4-12-22)19-26(23-13-5-2-6-14-23)34-32(25)37-21-31(36)35-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)35/h1-19H,21H2