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

Systemtic Name: 5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoxazole CAS Name: 5-phenyl-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 5-phenyl-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoxazole Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4OS/c1-3-7-13(8-4-1)16-11-15(22-23-16)12-24-18-19-17(20-21-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20,21)