4-chloranyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN5O4S/c1-2-21-10-18-19-16(21)11-4-3-5-12(8-11)20-27(25,26)13-6-7-14(17)15(9-13)22(23)24/h3-10,20H,2H2,1H3