N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=C(N3C)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=C(N3C)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C20H18N4O4S/c1-12(25)14-8-16-17(28-11-27-16)9-15(14)21-18(26)10-29-20-23-22-19(24(20)2)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,21,26)