2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynyl-benzimidazole

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynyl-benzimidazole Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynyl-benzimidazole CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-1-prop-2-ynylbenzimidazole IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynylbenzimidazole Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-1-propargyl-benzimidazole Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2CC#C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2CC#C)C

InChI

InChI=1S/C20H20N2OS/c1-4-9-22-19-8-6-5-7-18(19)21-20(22)24-11-10-23-17-13-15(2)12-16(3)14-17/h1,5-8,12-14H,9-11H2,2-3H3