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

Systemtic Name: (2S)-N-(2-methylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-isobutyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-isobutyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5OS/c1-9(2)8-16-13(20)10(3)21-14-17-12(18-19-14)11-4-6-15-7-5-11/h4-7,9-10H,8H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1