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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c1-3-8-18-15(22)11(2)23-16-20-19-14(21(16)13-4-5-13)12-6-9-17-10-7-12/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,18,22)/t11-/m0/s1