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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)COC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4S/c1-2-10-25-19(12-27-16-6-4-3-5-7-16)23-24-21(25)30-13-20(26)22-15-8-9-17-18(11-15)29-14-28-17/h2-9,11H,1,10,12-14H2,(H,22,26)