2-(4-bromophenyl)sulfonyl-4-butyl-5-phenyl-1,2,4-triazol-3-one

Systemtic Name: 2-(4-bromophenyl)sulfonyl-4-butyl-5-phenyl-1,2,4-triazol-3-one Openeye Name: 2-(4-bromophenyl)sulfonyl-4-butyl-5-phenyl-1,2,4-triazol-3-one CAS Name: 2-(4-bromophenyl)sulfonyl-4-butyl-5-phenyl-1,2,4-triazol-3-one IUPAC Name: 2-(4-bromophenyl)sulfonyl-4-butyl-5-phenyl-1,2,4-triazol-3-one Traditional Name: 2-brosyl-4-butyl-5-phenyl-1,2,4-triazol-3-one Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=O)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN(C1=O)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3O3S/c1-2-3-13-21-17(14-7-5-4-6-8-14)20-22(18(21)23)26(24,25)16-11-9-15(19)10-12-16/h4-12H,2-3,13H2,1H3