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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)propionamide Formula: C16H16BrN5O2S MolecularWeight: 422.29954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C16H16BrN5O2S/c1-10(15(23)19-9-11-5-4-8-24-11)25-16-21-20-14(22(16)18)12-6-2-3-7-13(12)17/h2-8,10H,9,18H2,1H3,(H,19,23)