2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-22-16(13-7-9-15(19)10-8-13)20-21-18(22)25-12-11-24-17(23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3