3-[[5-(5-chloranyl-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[5-(5-chloranyl-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-(5-chloro-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(5-chloro-2-methoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-(5-chloro-2-methoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(5-chloro-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C19H17ClN3O3S- MolecularWeight: 402.87458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)[O-])C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)[O-])C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H18ClN3O3S/c1-3-23-17(15-10-14(20)7-8-16(15)26-2)21-22-19(23)27-11-12-5-4-6-13(9-12)18(24)25/h4-10H,3,11H2,1-2H3,(H,24,25)/p-1