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

Systemtic Name: (2S)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: (2S)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: (2S)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: (2S)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: (2S)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1S[C@@H](C)C(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C22H26N4OS/c1-4-26-20(19-13-9-8-10-16(19)2)24-25-22(26)28-17(3)21(27)23-15-14-18-11-6-5-7-12-18/h5-13,17H,4,14-15H2,1-3H3,(H,23,27)/t17-/m0/s1