2-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(m-tolylmethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-methylbenzyl)thio]-1,3,4-oxadiazole Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14N2O3S/c1-11-3-2-4-12(7-11)9-23-17-19-18-16(22-17)13-5-6-14-15(8-13)21-10-20-14/h2-8H,9-10H2,1H3