2-chloranyl-5-nitro-N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]but-2-ynyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-5-nitro-N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]but-2-ynyl]benzenesulfonamide Openeye Name: 2-chloro-5-nitro-N-[4-(4-phenylthiazol-2-yl)sulfanylbut-2-ynyl]benzenesulfonamide CAS Name: 2-chloro-5-nitro-N-[4-[(4-phenyl-2-thiazolyl)thio]but-2-ynyl]benzenesulfonamide IUPAC Name: 2-chloro-5-nitro-N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]but-2-ynyl]benzenesulfonamide Traditional Name: 2-chloro-5-nitro-N-[4-[(4-phenylthiazol-2-yl)thio]but-2-ynyl]benzenesulfonamide Formula: C19H14ClN3O4S3 MolecularWeight: 479.98016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)SCC#CCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)SCC#CCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClN3O4S3/c20-16-9-8-15(23(24)25)12-18(16)30(26,27)21-10-4-5-11-28-19-22-17(13-29-19)14-6-2-1-3-7-14/h1-3,6-9,12-13,21H,10-11H2