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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H17BrN4O2S/c22-18-11-5-4-10-17(18)20-24-25-21(26(20)15-7-2-1-3-8-15)29-14-19(27)23-13-16-9-6-12-28-16/h1-12H,13-14H2,(H,23,27)