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

Systemtic Name: (2S)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one Openeye Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one CAS Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one Traditional Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)propan-1-one Formula: C19H18ClN3O3S MolecularWeight: 403.88252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)OC)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H18ClN3O3S/c1-11(17(24)12-4-7-14(25-2)8-5-12)27-19-21-18(22-23-19)15-10-13(20)6-9-16(15)26-3/h4-11H,1-3H3,(H,21,22,23)/t11-/m0/s1