(2R)-N-(2-cyanoethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=NN2

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=NN2

InChI

InChI=1S/C14H15N5OS/c1-11(21-14-16-10-17-18-14)13(20)19(9-5-8-15)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,9H2,1H3,(H,16,17,18)/t11-/m1/s1