(2S)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-propanamide

Systemtic Name: (2S)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-propanamide Openeye Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-propanamide CAS Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethylpropanamide IUPAC Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylpropanamide Traditional Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethyl-propionamide Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H27ClN4O2S/c1-4-25(15-8-6-5-7-9-15)19(26)13(2)28-20-22-18(23-24-20)16-12-14(21)10-11-17(16)27-3/h10-13,15H,4-9H2,1-3H3,(H,22,23,24)/t13-/m0/s1