N-(4-ethylsulfonylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(4-ethylsulfonylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(4-ethylsulfonylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(4-ethylsulfonylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(4-ethylsulfonylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(4-esylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-2-28(26,27)14-6-4-13(5-7-14)20-17(23)12-3-8-15(16(9-12)22(24)25)21-11-18-10-19-21/h3-11H,2H2,1H3,(H,20,23)