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

Systemtic Name: 4-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-(5-benzylsulfanyltetrazol-1-yl)benzoic acid CAS Name: 4-[5-(phenylmethylthio)-1-tetrazolyl]benzoic acid IUPAC Name: 4-(5-benzylsulfanyltetrazol-1-yl)benzoic acid Traditional Name: 4-[5-(benzylthio)tetrazol-1-yl]benzoic acid Formula: C15H12N4O2S MolecularWeight: 312.34638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H12N4O2S/c20-14(21)12-6-8-13(9-7-12)19-15(16-17-18-19)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)