(2R)-N-tert-butyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-tert-butyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-N-tert-butyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C)C(=O)NC(C)(C)C

InChI

InChI=1S/C16H22N4OS/c1-10-6-8-12(9-7-10)13-17-15(20-19-13)22-11(2)14(21)18-16(3,4)5/h6-9,11H,1-5H3,(H,18,21)(H,17,19,20)/t11-/m1/s1