4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-benzyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-(1,3-benzodioxol-5-ylmethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-benzyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-benzyl-5-(piperonylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H18N4O2S MolecularWeight: 402.46892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C22H18N4O2S/c1-2-4-16(5-3-1)13-26-21(18-8-10-23-11-9-18)24-25-22(26)29-14-17-6-7-19-20(12-17)28-15-27-19/h1-12H,13-15H2