3-(1,3-benzodioxol-5-yl)-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-isobutylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methylpropylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(isobutylthio)-4-phenyl-1,2,4-triazole Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O2S/c1-13(2)11-25-19-21-20-18(22(19)15-6-4-3-5-7-15)14-8-9-16-17(10-14)24-12-23-16/h3-10,13H,11-12H2,1-2H3