4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]benzoic acid IUPAC Name: 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C15H18N4O2S MolecularWeight: 318.39402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H18N4O2S/c20-14(21)12-8-6-11(7-9-12)10-22-15-16-17-18-19(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,20,21)