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

Systemtic Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[(1R)-1-cyanoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(1R)-1-cyanoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1R)-1-cyanoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C9H13N5OS MolecularWeight: 239.29742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C)CCC(=O)N

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1C)CCC(=O)N

InChI

InChI=1S/C9H13N5OS/c1-6(5-10)16-9-13-12-8(14(9)2)4-3-7(11)15/h6H,3-4H2,1-2H3,(H2,11,15)/t6-/m1/s1