(2S)-N-ethyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-N-ethyl-2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-ethyl-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-N-ethyl-2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1CC2=CC=CO2)C3=CN=CC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1CC2=CC=CO2)C3=CN=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-3-19-16(23)12(2)25-17-21-20-15(13-6-4-8-18-10-13)22(17)11-14-7-5-9-24-14/h4-10,12H,3,11H2,1-2H3,(H,19,23)/t12-/m0/s1