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

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O2S/c1-3-23-18(13-7-5-4-6-8-13)21-22-19(23)26-12-16(24)14-9-10-17(25-2)15(20)11-14/h4-11H,3,12H2,1-2H3