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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C20H20N6OS/c1-15(19(27)26(14-6-11-21)17-7-4-3-5-8-17)28-20-24-23-18(25(20)2)16-9-12-22-13-10-16/h3-5,7-10,12-13,15H,6,14H2,1-2H3/t15-/m1/s1