(NE)-N-(3,4-dimethyl-5-pentyl-1,3-thiazol-2-ylidene)-4-nitro-benzenesulfonamide

Systemtic Name: (NE)-N-(3,4-dimethyl-5-pentyl-1,3-thiazol-2-ylidene)-4-nitro-benzenesulfonamide Openeye Name: (NE)-N-(3,4-dimethyl-5-pentyl-thiazol-2-ylidene)-4-nitro-benzenesulfonamide CAS Name: (NE)-N-(3,4-dimethyl-5-pentyl-2-thiazolylidene)-4-nitrobenzenesulfonamide IUPAC Name: (NE)-N-(3,4-dimethyl-5-pentyl-1,3-thiazol-2-ylidene)-4-nitrobenzenesulfonamide Traditional Name: (NE)-N-(5-amyl-3,4-dimethyl-4-thiazolin-2-ylidene)-4-nitro-benzenesulfonamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S1)C)C

Isomeric SMILES

CCCCCC1=C(N(/C(=N\S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/S1)C)C

InChI

InChI=1S/C16H21N3O4S2/c1-4-5-6-7-15-12(2)18(3)16(24-15)17-25(22,23)14-10-8-13(9-11-14)19(20)21/h8-11H,4-7H2,1-3H3/b17-16+