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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(C)CCC#N)C2=CC=NC=C2

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)N(C)CCC#N)C2=CC=NC=C2

InChI

InChI=1S/C16H20N6OS/c1-4-22-14(13-6-9-18-10-7-13)19-20-16(22)24-12(2)15(23)21(3)11-5-8-17/h6-7,9-10,12H,4-5,11H2,1-3H3/t12-/m1/s1