4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C12H15N5O4S2 MolecularWeight: 357.4086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S2/c1-8-13-14-12(16(8)4)22-11-6-5-9(7-10(11)17(18)19)23(20,21)15(2)3/h5-7H,1-4H3