N-tert-butyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C14H17N3O4S3 MolecularWeight: 387.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S3/c1-9-8-22-13(15-9)23-12-6-5-10(7-11(12)17(18)19)24(20,21)16-14(2,3)4/h5-8,16H,1-4H3