4-[3-(butylamino)-1-(2,5-dimethylthiophen-3-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(butylamino)-1-(2,5-dimethylthiophen-3-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(butylamino)-1-(2,5-dimethyl-3-thienyl)propoxy]benzonitrile CAS Name: 4-[3-(butylamino)-1-(2,5-dimethyl-3-thiophenyl)propoxy]benzonitrile IUPAC Name: 4-[3-(butylamino)-1-(2,5-dimethylthiophen-3-yl)propoxy]benzonitrile Traditional Name: 4-[3-(butylamino)-1-(2,5-dimethyl-3-thienyl)propoxy]benzonitrile Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCC(C1=C(SC(=C1)C)C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCNCCC(C1=C(SC(=C1)C)C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H26N2OS/c1-4-5-11-22-12-10-20(19-13-15(2)24-16(19)3)23-18-8-6-17(14-21)7-9-18/h6-9,13,20,22H,4-5,10-12H2,1-3H3