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

Systemtic Name: 6-(4-methylphenyl)-2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(3-keto-3-phenothiazin-10-yl-propyl)thio]-6-(p-tolyl)nicotinonitrile Formula: C28H21N3OS2 MolecularWeight: 479.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H21N3OS2/c1-19-10-12-20(13-11-19)22-15-14-21(18-29)28(30-22)33-17-16-27(32)31-23-6-2-4-8-25(23)34-26-9-5-3-7-24(26)31/h2-15H,16-17H2,1H3