(2R)-N,N-dimethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N,N-dimethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N,N-dimethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N,N-dimethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N,N-dimethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N,N-dimethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)SC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

C[C@H](C(=O)N(C)C)SC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C12H15N5OS/c1-8(11(18)17(2)3)19-12-14-10(15-16-12)9-4-6-13-7-5-9/h4-8H,1-3H3,(H,14,15,16)/t8-/m1/s1