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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O4S/c1-3-10-25-20(14-8-9-17-18(11-14)29-13-28-17)23-24-21(25)30-12-19(26)22-15-6-4-5-7-16(15)27-2/h3-9,11H,1,10,12-13H2,2H3,(H,22,26)