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

Systemtic Name: N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C13H17N5O4S2 MolecularWeight: 371.43518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O4S2/c1-4-17(5-2)24(21,22)10-6-7-12(11(8-10)18(19)20)23-13-15-14-9-16(13)3/h6-9H,4-5H2,1-3H3