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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-2-23-18(12-25-16-10-8-15(20)9-11-16)21-22-19(23)26-13-17(24)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3