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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-acetamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C19H18N4O3S2/c24-17(20-9-12-3-6-14-15(8-12)26-11-25-14)10-28-19-22-21-18(16-2-1-7-27-16)23(19)13-4-5-13/h1-3,6-8,13H,4-5,9-11H2,(H,20,24)