4-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)butan-1-one Formula: C19H17ClFN3O2S MolecularWeight: 405.873583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H17ClFN3O2S/c1-26-17-9-6-13(20)11-15(17)18-22-19(24-23-18)27-10-2-3-16(25)12-4-7-14(21)8-5-12/h4-9,11H,2-3,10H2,1H3,(H,22,23,24)