2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C21H16N4OS2/c1-2-7-15(8-3-1)13-25-20(18-11-6-12-27-18)23-24-21(25)28-14-19-22-16-9-4-5-10-17(16)26-19/h1-12H,13-14H2