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

Systemtic Name: N-[[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-methyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-methyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-methyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-13-5-3-4-6-15(13)11-28-20-23-22-18(24(20)2)10-21-19(25)14-7-8-16-17(9-14)27-12-26-16/h3-9H,10-12H2,1-2H3,(H,21,25)