1-(4-ethoxy-3-nitro-phenyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethoxy-3-nitrophenyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethoxy-3-nitrophenyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C(C)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C(C)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-4-29-19-11-10-15(12-17(19)25(27)28)18(26)13-31-21-23-22-20(24(21)3)14(2)30-16-8-6-5-7-9-16/h5-12,14H,4,13H2,1-3H3