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

Systemtic Name: 4-(3-methoxy-4-phenylmethoxy-phenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-benzyloxy-3-methoxy-phenyl)-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-phenyl-nicotinonitrile Formula: C40H29N3O3S2 MolecularWeight: 663.80656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C40H29N3O3S2/c1-45-36-22-29(20-21-35(36)46-25-27-12-4-2-5-13-27)30-23-32(28-14-6-3-7-15-28)42-40(31(30)24-41)47-26-39(44)43-33-16-8-10-18-37(33)48-38-19-11-9-17-34(38)43/h2-23H,25-26H2,1H3