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

Systemtic Name: (2R)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one Openeye Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-indan-5-yl-propan-1-one CAS Name: (2R)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2,3-dihydro-1H-inden-5-yl)-1-propanone IUPAC Name: (2R)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one Traditional Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-indan-5-yl-propan-1-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)SC3=NNC(=N3)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)SC3=NNC(=N3)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C21H20ClN3O2S/c1-12(19(26)15-7-6-13-4-3-5-14(13)10-15)28-21-23-20(24-25-21)17-11-16(22)8-9-18(17)27-2/h6-12H,3-5H2,1-2H3,(H,23,24,25)/t12-/m1/s1