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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=N1)SC(=O)C2=CC=C(C=C2)Cl

InChI

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