4-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-[5-[(2-methyl-1-naphthyl)methylsulfanyl]tetrazol-1-yl]benzoic acid CAS Name: 4-[5-[(2-methyl-1-naphthalenyl)methylthio]-1-tetrazolyl]benzoic acid IUPAC Name: 4-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]tetrazol-1-yl]benzoic acid Traditional Name: 4-[5-[(2-methyl-1-naphthyl)methylthio]tetrazol-1-yl]benzoic acid Formula: C20H16N4O2S MolecularWeight: 376.43164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H16N4O2S/c1-13-6-7-14-4-2-3-5-17(14)18(13)12-27-20-21-22-23-24(20)16-10-8-15(9-11-16)19(25)26/h2-11H,12H2,1H3,(H,25,26)