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

Systemtic Name: 1-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C12H12ClN3O2S/c1-7(17)6-19-12-14-11(15-16-12)9-5-8(13)3-4-10(9)18-2/h3-5H,6H2,1-2H3,(H,14,15,16)