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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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