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

Systemtic Name: 5-methyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 5-methyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoxazole CAS Name: 5-methyl-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 5-methyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoxazole Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-9-7-11(17-18-9)8-19-13-14-12(15-16-13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)