3-(4-ethylsulfonyl-2-nitro-phenyl)sulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole

Systemtic Name: 3-(4-ethylsulfonyl-2-nitro-phenyl)sulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-(4-ethylsulfonyl-2-nitro-phenyl)sulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(4-ethylsulfonyl-2-nitrophenyl)thio]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-(4-ethylsulfonyl-2-nitrophenyl)sulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-[(4-esyl-2-nitro-phenyl)thio]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-3-29(25,26)14-9-10-16(15(11-14)22(23)24)28-18-20-19-17(21(18)2)12-27-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3