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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17FN4O3S/c1-2-9-25-19(13-7-8-16-17(10-13)28-12-27-16)23-24-20(25)29-11-18(26)22-15-6-4-3-5-14(15)21/h2-8,10H,1,9,11-12H2,(H,22,26)