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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N4O4S/c1-3-9-26-21(16-7-8-18-19(11-16)30-13-29-18)24-25-22(26)31-12-20(28)23-17-6-4-5-15(10-17)14(2)27/h3-8,10-11H,1,9,12-13H2,2H3,(H,23,28)