S-[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl] 2-bromanyl-5-methoxy-benzenecarbothioate

Systemtic Name: S-[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl] 2-bromanyl-5-methoxy-benzenecarbothioate Openeye Name: S-[1-(3-chlorophenyl)tetrazol-5-yl] 2-bromo-5-methoxy-benzenecarbothioate CAS Name: 2-bromo-5-methoxybenzenecarbothioic acid S-[1-(3-chlorophenyl)-5-tetrazolyl] ester IUPAC Name: S-[1-(3-chlorophenyl)tetrazol-5-yl] 2-bromo-5-methoxybenzenecarbothioate Traditional Name: 2-bromo-5-methoxy-thiobenzoic acid S-[1-(3-chlorophenyl)tetrazol-5-yl] ester Formula: C15H10BrClN4O2S MolecularWeight: 425.6875

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)SC2=NN=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)SC2=NN=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H10BrClN4O2S/c1-23-11-5-6-13(16)12(8-11)14(22)24-15-18-19-20-21(15)10-4-2-3-9(17)7-10/h2-8H,1H3