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

Systemtic Name: (2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1C)C2=CC=CC=C2C

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN=C(N1C)C2=CC=CC=C2C

InChI

InChI=1S/C16H22N4OS/c1-5-10-17-15(21)12(3)22-16-19-18-14(20(16)4)13-9-7-6-8-11(13)2/h6-9,12H,5,10H2,1-4H3,(H,17,21)/t12-/m0/s1