2-(1,3-benzodioxol-5-yl)-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]ethanamide Openeye Name: N-[(4-allyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[[5-(methylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]acetamide Traditional Name: N-[[4-allyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC=C)CNC(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=NN=C(N1CC=C)CNC(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N4O3S/c1-3-6-20-14(18-19-16(20)24-2)9-17-15(21)8-11-4-5-12-13(7-11)23-10-22-12/h3-5,7H,1,6,8-10H2,2H3,(H,17,21)