2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: N-butyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-2-3-11-23-20(27)14-30-22-25-24-21(17-7-5-4-6-8-17)26(22)13-16-9-10-18-19(12-16)29-15-28-18/h4-10,12H,2-3,11,13-15H2,1H3,(H,23,27)