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

Systemtic Name: 2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C14H12BrN5O2S MolecularWeight: 394.24638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=CO3

InChI

InChI=1S/C14H12BrN5O2S/c15-9-3-1-4-10(7-9)17-12(21)8-23-14-19-18-13(20(14)16)11-5-2-6-22-11/h1-7H,8,16H2,(H,17,21)