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

Systemtic Name: N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O3S/c1-23-17(21-22-19(23)27-11-13-5-3-2-4-6-13)10-20-18(24)14-7-8-15-16(9-14)26-12-25-15/h2-9H,10-12H2,1H3,(H,20,24)