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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]ethanone Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3S/c1-13-3-2-4-15(9-13)21-8-7-20-19(21)25-11-16(22)14-5-6-17-18(10-14)24-12-23-17/h2-10H,11-12H2,1H3