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

Systemtic Name: 3-(methylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenecarbonitrile Openeye Name: 3-(methylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzonitrile CAS Name: 3-(methylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]benzonitrile IUPAC Name: 3-(methylaminomethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzonitrile Traditional Name: 3-(methylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]benzonitrile Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2OS/c1-12-8-15(5-7-17(12)21-3)20-16-6-4-13(10-18)9-14(16)11-19-2/h4-9,19H,11H2,1-3H3