3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2,4-dimethylphenoxy)methyl]-5-(piperonylthio)-1,2,4-triazol-4-yl]amine Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2N)SCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2N)SCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H20N4O3S/c1-12-3-5-15(13(2)7-12)24-9-18-21-22-19(23(18)20)27-10-14-4-6-16-17(8-14)26-11-25-16/h3-8H,9-11,20H2,1-2H3