3-(1,3-benzodioxol-5-yl)-4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-oxolanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(tetrahydrofurfurylthio)-1,2,4-triazole Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCCO2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC2CCCO2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H17N3O3S/c1-18-14(10-4-5-12-13(7-10)21-9-20-12)16-17-15(18)22-8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8-9H2,1H3