2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynyl-benzimidazole

Systemtic Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynyl-benzimidazole Openeye Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynyl-benzimidazole CAS Name: 2-[2-(3,4-dimethylphenoxy)ethylthio]-1-prop-2-ynylbenzimidazole IUPAC Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynylbenzimidazole Traditional Name: 2-[2-(3,4-dimethylphenoxy)ethylthio]-1-propargyl-benzimidazole Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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