2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[(2-hydroxy-3-phenoxypropyl)thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[(2-hydroxy-3-phenoxy-propyl)thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(COC3=CC=CC=C3)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(COC3=CC=CC=C3)O)C4=CC=CS4

InChI

InChI=1S/C25H20N2O2S2/c26-15-22-21(18-8-3-1-4-9-18)14-23(24-12-7-13-30-24)27-25(22)31-17-19(28)16-29-20-10-5-2-6-11-20/h1-14,19,28H,16-17H2