4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)butan-1-one Formula: C24H21N3O3S2 MolecularWeight: 463.57184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCCC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCCC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S2/c28-19(22-9-5-12-31-22)8-4-13-32-24-26-25-23(18-6-2-1-3-7-18)27(24)15-17-10-11-20-21(14-17)30-16-29-20/h1-3,5-7,9-12,14H,4,8,13,15-16H2