2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylpropanamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylpropanamide Traditional Name: N-ethyl-N-phenyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C27H26N4O3S MolecularWeight: 486.58534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-3-30(22-12-8-5-9-13-22)26(32)19(2)35-27-29-28-25(21-10-6-4-7-11-21)31(27)17-20-14-15-23-24(16-20)34-18-33-23/h4-16,19H,3,17-18H2,1-2H3