6-(4-methylphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C33H23N3OS2 MolecularWeight: 541.68522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C33H23N3OS2/c1-22-15-17-24(18-16-22)27-19-25(23-9-3-2-4-10-23)26(20-34)33(35-27)38-21-32(37)36-28-11-5-7-13-30(28)39-31-14-8-6-12-29(31)36/h2-19H,21H2,1H3