3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[(1R)-1-cyanoethyl]thio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1R)-1-cyanoethyl]thio]-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C12H19N5OS MolecularWeight: 281.37716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC(C)C#N)CCC(=O)N

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1CC(C)C)CCC(=O)N

InChI

InChI=1S/C12H19N5OS/c1-8(2)7-17-11(5-4-10(14)18)15-16-12(17)19-9(3)6-13/h8-9H,4-5,7H2,1-3H3,(H2,14,18)/t9-/m1/s1