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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-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:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C19H18N4O3S2/c1-2-7-23-18(16-4-3-8-27-16)21-22-19(23)28-11-17(24)20-10-13-5-6-14-15(9-13)26-12-25-14/h2-6,8-9H,1,7,10-12H2,(H,20,24)