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

Systemtic Name: (2S)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-ethylpiperazino)propan-1-one Formula: C18H24ClN5O2S MolecularWeight: 409.93346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H24ClN5O2S/c1-4-23-7-9-24(10-8-23)17(25)12(2)27-18-20-16(21-22-18)14-11-13(19)5-6-15(14)26-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)/t12-/m0/s1