N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-(2H-1,2,3-triazol-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-(2H-1,2,3-triazol-4-ylsulfanylmethyl)benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(2H-triazol-4-ylthio)methyl]benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(2H-triazol-4-ylthio)methyl]benzamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)CSC4=NNN=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)CSC4=NNN=C4)OCO2

InChI

InChI=1S/C19H16N4O4S/c1-11(24)14-6-16-17(27-10-26-16)7-15(14)21-19(25)13-4-2-12(3-5-13)9-28-18-8-20-23-22-18/h2-8H,9-10H2,1H3,(H,21,25)(H,20,22,23)