3-[5-[(2-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(2-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-methylphenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC(C)C)CCC(=O)N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC(C)C)CCC(=O)N

InChI

InChI=1S/C17H24N4OS/c1-12(2)10-21-16(9-8-15(18)22)19-20-17(21)23-11-14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3,(H2,18,22)