3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H17N5O2S/c22-15-12-8-4-5-9-13(12)17-20-21(15)10-24-16-19-18-14(23-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2