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

Systemtic Name: (2S)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[[4-allyl-5-(3-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(N1CC=C)C2=CN=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN=C(N1CC=C)C2=CN=CC=C2

InChI

InChI=1S/C16H21N5OS/c1-4-8-18-15(22)12(3)23-16-20-19-14(21(16)10-5-2)13-7-6-9-17-11-13/h5-7,9,11-12H,2,4,8,10H2,1,3H3,(H,18,22)/t12-/m0/s1