N-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H16ClN5O3S MolecularWeight: 465.91214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C22H16ClN5O3S/c23-15-3-6-17(7-4-15)28-21(14-2-1-9-24-11-14)26-27-22(28)32-12-20(29)25-16-5-8-18-19(10-16)31-13-30-18/h1-11H,12-13H2,(H,25,29)