2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester Formula: C16H12Cl2N4O2S MolecularWeight: 395.26308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl)N3C=NN=N3

InChI

InChI=1S/C16H12Cl2N4O2S/c17-12-3-6-14(18)15(9-12)25-8-7-24-16(23)11-1-4-13(5-2-11)22-10-19-20-21-22/h1-6,9-10H,7-8H2