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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole Formula: C16H12N4OS MolecularWeight: 308.35768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H12N4OS/c1-2-6-11(7-3-1)15-18-16(20-19-15)22-10-14-17-12-8-4-5-9-13(12)21-14/h1-9H,10H2,(H,18,19,20)