N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O3S/c1-14-22-23-20(24(14)15-7-3-2-4-8-15)28-13-19(25)21-11-16-12-26-17-9-5-6-10-18(17)27-16/h2-10,16H,11-13H2,1H3,(H,21,25)