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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-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-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c1-2-8-25-19(15-4-3-7-21-11-15)23-24-20(25)29-12-18(26)22-10-14-5-6-16-17(9-14)28-13-27-16/h2-7,9,11H,1,8,10,12-13H2,(H,22,26)