N-[(3-bromophenyl)methyl]-2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine

Systemtic Name: N-[(3-bromophenyl)methyl]-2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine Openeye Name: N-[(3-bromophenyl)methyl]-2-ethylsulfonyl-5-(2-furyl)-1,2,4-triazol-3-amine CAS Name: N-[(3-bromophenyl)methyl]-2-ethylsulfonyl-5-(2-furanyl)-1,2,4-triazol-3-amine IUPAC Name: N-[(3-bromophenyl)methyl]-2-ethylsulfonyl-5-(furan-2-yl)-1,2,4-triazol-3-amine Traditional Name: (3-bromobenzyl)-[2-esyl-5-(2-furyl)-1,2,4-triazol-3-yl]amine Formula: C15H15BrN4O3S MolecularWeight: 411.2736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)Br

Isomeric SMILES

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H15BrN4O3S/c1-2-24(21,22)20-15(17-10-11-5-3-6-12(16)9-11)18-14(19-20)13-7-4-8-23-13/h3-9H,2,10H2,1H3,(H,17,18,19)