2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H14N4OS/c1-8(2)12-15-13(17-16-12)19-7-11-14-9-5-3-4-6-10(9)18-11/h3-6,8H,7H2,1-2H3,(H,15,16,17)