2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole Formula: C17H20N4OS MolecularWeight: 328.4319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H20N4OS/c1-12-19-20-17(21(12)13-7-3-2-4-8-13)23-11-16-18-14-9-5-6-10-15(14)22-16/h5-6,9-10,13H,2-4,7-8,11H2,1H3