3-(1,3-benzodioxol-5-yl)-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C25H19N5O2S MolecularWeight: 453.51566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C25H19N5O2S/c1-2-5-21(6-3-1)30-24(19-9-12-22-23(15-19)32-17-31-22)27-28-25(30)33-16-18-7-10-20(11-8-18)29-14-4-13-26-29/h1-15H,16-17H2