2-(4-chlorophenyl)sulfanylethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2S/c17-13-3-7-15(8-4-13)24-10-9-23-16(22)12-1-5-14(6-2-12)21-11-18-19-20-21/h1-8,11H,9-10H2