N-[3-(2-chloranyl-5-nitro-phenyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[3-(2-chloranyl-5-nitro-phenyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide Openeye Name: N-[3-(2-chloro-5-nitro-phenyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide CAS Name: N-[3-(2-chloro-5-nitrophenyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide IUPAC Name: N-[3-(2-chloro-5-nitrophenyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide Traditional Name: N-[3-(2-chloro-5-nitro-phenyl)-1,2,4-thiadiazol-5-yl]-4-propyl-benzenesulfonamide Formula: C17H15ClN4O4S2 MolecularWeight: 438.9084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NS2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NS2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O4S2/c1-2-3-11-4-7-13(8-5-11)28(25,26)21-17-19-16(20-27-17)14-10-12(22(23)24)6-9-15(14)18/h4-10H,2-3H2,1H3,(H,19,20,21)