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

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C12H12N4OS/c1-2-10-14-12(16-15-10)18-7-11-13-8-5-3-4-6-9(8)17-11/h3-6H,2,7H2,1H3,(H,14,15,16)