3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[2-(3,5-dimethylphenoxy)ethylthio]benzimidazol-1-yl]propionitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2CCC#N)C

InChI

InChI=1S/C20H21N3OS/c1-15-12-16(2)14-17(13-15)24-10-11-25-20-22-18-6-3-4-7-19(18)23(20)9-5-8-21/h3-4,6-7,12-14H,5,9-11H2,1-2H3