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

Systemtic Name: N-(4-bromophenyl)-3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H17BrN4O2S MolecularWeight: 421.31148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CO3

InChI

InChI=1S/C17H17BrN4O2S/c1-2-22-16(14-4-3-10-24-14)20-21-17(22)25-11-9-15(23)19-13-7-5-12(18)6-8-13/h3-8,10H,2,9,11H2,1H3,(H,19,23)