4-(oxolan-2-ylmethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(oxolan-2-ylmethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(2-oxolanylmethyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(oxolan-2-ylmethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-pyrazol-1-ylbenzyl)thio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CS5

InChI

InChI=1S/C21H21N5OS2/c1-4-18(27-12-1)14-25-20(19-5-2-13-28-19)23-24-21(25)29-15-16-6-8-17(9-7-16)26-11-3-10-22-26/h2-3,5-11,13,18H,1,4,12,14-15H2