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

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

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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=CC=C6

Isomeric SMILES

CC1=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/C33H23N3OS2/c1-22-15-17-23(18-16-22)25-19-27(24-9-3-2-4-10-24)35-33(26(25)20-34)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