1-(1,3-benzodioxol-5-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]ethanone Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H18N2O3S/c1-13-3-5-16(9-14(13)2)22-8-7-21-20(22)26-11-17(23)15-4-6-18-19(10-15)25-12-24-18/h3-10H,11-12H2,1-2H3