5-(nitromethyl)-3-phenyl-1-(phenylsulfonyl)-1,2,4-triazole

Systemtic Name: 5-(nitromethyl)-3-phenyl-1-(phenylsulfonyl)-1,2,4-triazole Openeye Name: 1-(benzenesulfonyl)-5-(nitromethyl)-3-phenyl-1,2,4-triazole CAS Name: 1-(benzenesulfonyl)-5-(nitromethyl)-3-phenyl-1,2,4-triazole IUPAC Name: 1-(benzenesulfonyl)-5-(nitromethyl)-3-phenyl-1,2,4-triazole Traditional Name: 1-besyl-5-(nitromethyl)-3-phenyl-1,2,4-triazole Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)C[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)C[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H12N4O4S/c20-18(21)11-14-16-15(12-7-3-1-4-8-12)17-19(14)24(22,23)13-9-5-2-6-10-13/h1-10H,11H2