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

Systemtic Name: 3-(furan-2-yl)-4-(phenylmethyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-furyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-(phenylmethyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-benzyl-3-(furan-2-yl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-furyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CO5

InChI

InChI=1S/C23H19N5OS/c1-2-6-18(7-3-1)16-27-22(21-8-4-15-29-21)25-26-23(27)30-17-19-9-11-20(12-10-19)28-14-5-13-24-28/h1-15H,16-17H2