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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S/c1-21-17(13-7-8-15-16(11-13)24-12-23-15)19-20-18(21)25-10-9-22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3