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

Systemtic Name: 3-[3-(dimethylamino)-1-(2,5-dimethylthiophen-3-yl)propoxy]benzenecarbonitrile Openeye Name: 3-[3-(dimethylamino)-1-(2,5-dimethyl-3-thienyl)propoxy]benzonitrile CAS Name: 3-[3-(dimethylamino)-1-(2,5-dimethyl-3-thiophenyl)propoxy]benzonitrile IUPAC Name: 3-[3-(dimethylamino)-1-(2,5-dimethylthiophen-3-yl)propoxy]benzonitrile Traditional Name: 3-[3-(dimethylamino)-1-(2,5-dimethyl-3-thienyl)propoxy]benzonitrile Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(CCN(C)C)OC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(CCN(C)C)OC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H22N2OS/c1-13-10-17(14(2)22-13)18(8-9-20(3)4)21-16-7-5-6-15(11-16)12-19/h5-7,10-11,18H,8-9H2,1-4H3