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

Systemtic Name: 3-[4-(2-methylpropyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(5-benzylsulfanyl-4-isobutyl-1,2,4-triazol-3-yl)propanamide CAS Name: 3-[4-(2-methylpropyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-benzylsulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(benzylthio)-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C16H22N4OS/c1-12(2)10-20-15(9-8-14(17)21)18-19-16(20)22-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,17,21)