5-(2-cyclohexa-1,5-dien-1-ylsulfanylphenyl)-2H-1,2,3,4-tetrazole

Systemtic Name: 5-(2-cyclohexa-1,5-dien-1-ylsulfanylphenyl)-2H-1,2,3,4-tetrazole Openeye Name: 5-(2-cyclohexa-1,5-dien-1-ylsulfanylphenyl)-2H-tetrazole CAS Name: 5-[2-(1-cyclohexa-1,5-dienylthio)phenyl]-2H-tetrazole IUPAC Name: 5-(2-cyclohexa-1,5-dien-1-ylsulfanylphenyl)-2H-tetrazole Traditional Name: 5-[2-(cyclohexa-1,5-dien-1-ylthio)phenyl]-2H-tetrazole Formula: C13H12N4S MolecularWeight: 256.32618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)SC2=CC=CC=C2C3=NNN=N3

Isomeric SMILES

C1CC=C(C=C1)SC2=CC=CC=C2C3=NNN=N3

InChI

InChI=1S/C13H12N4S/c1-2-6-10(7-3-1)18-12-9-5-4-8-11(12)13-14-16-17-15-13/h2,4-9H,1,3H2,(H,14,15,16,17)