3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenecarbonitrile

Systemtic Name: 3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenecarbonitrile Openeye Name: 3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzonitrile CAS Name: 3-(dimethylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]benzonitrile IUPAC Name: 3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzonitrile Traditional Name: 3-(dimethylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]benzonitrile Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C#N)CN(C)C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C#N)CN(C)C)SC

InChI

InChI=1S/C18H20N2OS/c1-13-9-16(6-8-18(13)22-4)21-17-7-5-14(11-19)10-15(17)12-20(2)3/h5-10H,12H2,1-4H3