3-[4-(3-oxidanyl-5-thiophen-2-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile

Systemtic Name: 3-[4-(3-oxidanyl-5-thiophen-2-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 3-[4-[2-hydroxy-1-methyl-4-(2-thienyl)butoxy]phenyl]benzonitrile CAS Name: 3-[4-(3-hydroxy-5-thiophen-2-ylpentan-2-yl)oxyphenyl]benzonitrile IUPAC Name: 3-[4-(3-hydroxy-5-thiophen-2-ylpentan-2-yl)oxyphenyl]benzonitrile Traditional Name: 3-[4-[2-hydroxy-1-methyl-4-(2-thienyl)butoxy]phenyl]benzonitrile Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CS1)O)OC2=CC=C(C=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C(CCC1=CC=CS1)O)OC2=CC=C(C=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H21NO2S/c1-16(22(24)12-11-21-6-3-13-26-21)25-20-9-7-18(8-10-20)19-5-2-4-17(14-19)15-23/h2-10,13-14,16,22,24H,11-12H2,1H3