5-phenyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

Systemtic Name: 5-phenyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 5-phenyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 5-phenyl-3-[[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 5-phenyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 5-phenyl-3-[[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NOC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NOC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5OS/c1-3-9-18(10-4-1)21-15-19(26-29-21)17-30-23-25-24-22(16-27-13-7-8-14-27)28(23)20-11-5-2-6-12-20/h1-6,9-12,15H,7-8,13-14,16-17H2