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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-propionamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C19H20N4O3S2/c1-3-23-17(16-5-4-8-27-16)21-22-19(23)28-12(2)18(24)20-10-13-6-7-14-15(9-13)26-11-25-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,24)