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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C13H12N4OS/c1-2-4-10-9(3-1)14-11(18-10)7-19-13-15-12(16-17-13)8-5-6-8/h1-4,8H,5-7H2,(H,15,16,17)