4-bromanyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Openeye Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Traditional Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-bromo-benzenesulfonamide Formula: C12H13BrN4O2S2 MolecularWeight: 389.29122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN4O2S2/c1-2-7-17-11(15-16-12(17)20)8-14-21(18,19)10-5-3-9(13)4-6-10/h2-6,14H,1,7-8H2,(H,16,20)