3-[3-(2-chloranylprop-2-enylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(2-chloranylprop-2-enylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(2-chloroallylsulfanyl)-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(2-chloroprop-2-enylthio)-5-(2-furanyl)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(2-chloroprop-2-enylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(2-chloroallylthio)-5-(2-furyl)-1,2,4-triazol-4-yl]propionamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=NN=C(N1CCC(=O)N)C2=CC=CO2)Cl

Isomeric SMILES

C=C(CSC1=NN=C(N1CCC(=O)N)C2=CC=CO2)Cl

InChI

InChI=1S/C12H13ClN4O2S/c1-8(13)7-20-12-16-15-11(9-3-2-6-19-9)17(12)5-4-10(14)18/h2-3,6H,1,4-5,7H2,(H2,14,18)