1-methyl-5-[2-(4-methylphenyl)sulfonylethoxy]-3-nitro-1,2,4-triazole

Systemtic Name: 1-methyl-5-[2-(4-methylphenyl)sulfonylethoxy]-3-nitro-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-[2-(p-tolylsulfonyl)ethoxy]-1,2,4-triazole CAS Name: 1-methyl-5-[2-(4-methylphenyl)sulfonylethoxy]-3-nitro-1,2,4-triazole IUPAC Name: 1-methyl-5-[2-(4-methylphenyl)sulfonylethoxy]-3-nitro-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-(2-tosylethoxy)-1,2,4-triazole Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=NC(=NN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=NC(=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5S/c1-9-3-5-10(6-4-9)22(19,20)8-7-21-12-13-11(16(17)18)14-15(12)2/h3-6H,7-8H2,1-2H3