3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(4-methylphenyl)-1,2,4-oxadiazole Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-(4-methylphenyl)-1,2,4-oxadiazole Traditional Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-5-(p-tolyl)-1,2,4-oxadiazole Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H16N2O3S/c1-12-2-4-13(5-3-12)18-19-17(20-23-18)11-24-14-6-7-15-16(10-14)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3