4-methyl-3-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-[(E)-3-(4-nitrophenyl)sulfonylallyl]sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-[[(E)-3-nosylallyl]thio]-1,2,4-triazole Formula: C12H12N4O4S2 MolecularWeight: 340.37808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC=CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC/C=C/S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S2/c1-15-9-13-14-12(15)21-7-2-8-22(19,20)11-5-3-10(4-6-11)16(17)18/h2-6,8-9H,7H2,1H3/b8-2+