2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C15H13BrN4O2S MolecularWeight: 393.25832

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H13BrN4O2S/c16-11-5-3-10(4-6-11)14-18-15(20-19-14)23-9-13(21)17-8-12-2-1-7-22-12/h1-7H,8-9H2,(H,17,21)(H,18,19,20)