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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NN=C(N1C2=CC=CC=C2)C3CC3

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NN=C(N1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C18H21N5OS/c1-13(17(24)22(2)12-6-11-19)25-18-21-20-16(14-9-10-14)23(18)15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-10,12H2,1-2H3/t13-/m1/s1