(2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H20N4O2S/c1-4-9-16-14(20)10(2)22-15-17-13(18-19-15)11-5-7-12(21-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1