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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-ethyl-N-piperonyl-acetamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NNC(=N3)C4CC4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NNC(=N3)C4CC4

InChI

InChI=1S/C17H20N4O3S/c1-2-21(8-11-3-6-13-14(7-11)24-10-23-13)15(22)9-25-17-18-16(19-20-17)12-4-5-12/h3,6-7,12H,2,4-5,8-10H2,1H3,(H,18,19,20)