(2S)-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide

Systemtic Name: (2S)-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NN=C(N1CC2=CC=CO2)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NCC=C)SC1=NN=C(N1CC2=CC=CO2)N3CCCCC3

InChI

InChI=1S/C18H25N5O2S/c1-3-9-19-16(24)14(2)26-18-21-20-17(22-10-5-4-6-11-22)23(18)13-15-8-7-12-25-15/h3,7-8,12,14H,1,4-6,9-11,13H2,2H3,(H,19,24)/t14-/m0/s1