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

Systemtic Name: 4-(4-tert-butylphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-phenyl-nicotinonitrile Formula: C36H29N3OS2 MolecularWeight: 583.76496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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

CC(C)(C)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/C36H29N3OS2/c1-36(2,3)26-19-17-24(18-20-26)27-21-29(25-11-5-4-6-12-25)38-35(28(27)22-37)41-23-34(40)39-30-13-7-9-15-32(30)42-33-16-10-8-14-31(33)39/h4-21H,23H2,1-3H3