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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C17H20N6OS/c1-12(16(24)22(2)11-3-8-18)25-17-21-20-15(23(17)14-4-5-14)13-6-9-19-10-7-13/h6-7,9-10,12,14H,3-5,11H2,1-2H3/t12-/m1/s1