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

Systemtic Name: N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine Openeye Name: N-[(4-bromophenyl)methyl]-5-(2-furyl)-2-methylsulfonyl-1,2,4-triazol-3-amine CAS Name: N-[(4-bromophenyl)methyl]-5-(2-furanyl)-2-methylsulfonyl-1,2,4-triazol-3-amine IUPAC Name: N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-2-methylsulfonyl-1,2,4-triazol-3-amine Traditional Name: (4-bromobenzyl)-[5-(2-furyl)-2-mesyl-1,2,4-triazol-3-yl]amine Formula: C14H13BrN4O3S MolecularWeight: 397.24702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN4O3S/c1-23(20,21)19-14(16-9-10-4-6-11(15)7-5-10)17-13(18-19)12-3-2-8-22-12/h2-8H,9H2,1H3,(H,16,17,18)