N-[[4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-ethyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-ethyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-ethyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3S/c1-3-25-19(23-24-21(25)29-12-15-6-4-5-14(2)9-15)11-22-20(26)16-7-8-17-18(10-16)28-13-27-17/h4-10H,3,11-13H2,1-2H3,(H,22,26)