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

Systemtic Name: 6-(4-chlorophenyl)-4-(4-methylphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-4-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-4-(4-methylphenyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-4-(4-methylphenyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-(p-tolyl)nicotinonitrile Formula: C33H22ClN3OS2 MolecularWeight: 576.13028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C33H22ClN3OS2/c1-21-10-12-22(13-11-21)25-18-27(23-14-16-24(34)17-15-23)36-33(26(25)19-35)39-20-32(38)37-28-6-2-4-8-30(28)40-31-9-5-3-7-29(31)37/h2-18H,20H2,1H3