S-(1-methyl-1,2,3,4-tetrazol-5-yl) 2-chloranylbenzenecarbothioate

Systemtic Name: S-(1-methyl-1,2,3,4-tetrazol-5-yl) 2-chloranylbenzenecarbothioate Openeye Name: S-(1-methyltetrazol-5-yl) 2-chlorobenzenecarbothioate CAS Name: 2-chlorobenzenecarbothioic acid S-(1-methyl-5-tetrazolyl) ester IUPAC Name: S-(1-methyltetrazol-5-yl) 2-chlorobenzenecarbothioate Traditional Name: 2-chlorothiobenzoic acid S-(1-methyltetrazol-5-yl) ester Formula: C9H7ClN4OS MolecularWeight: 254.69608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CN1C(=NN=N1)SC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C9H7ClN4OS/c1-14-9(11-12-13-14)16-8(15)6-4-2-3-5-7(6)10/h2-5H,1H3