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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-phenyl-nicotinonitrile Formula: C34H25N3O3S2 MolecularWeight: 587.7106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)OC

InChI

InChI=1S/C34H25N3O3S2/c1-39-29-17-16-23(18-30(29)40-2)24-19-26(22-10-4-3-5-11-22)36-34(25(24)20-35)41-21-33(38)37-27-12-6-8-14-31(27)42-32-15-9-7-13-28(32)37/h3-19H,21H2,1-2H3