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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]thio]-N-o-phenetyl-acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4S/c1-3-11-26-21(15-9-10-18-19(12-15)30-14-29-18)24-25-22(26)31-13-20(27)23-16-7-5-6-8-17(16)28-4-2/h3,5-10,12H,1,4,11,13-14H2,2H3,(H,23,27)