N4,N4-diethyl-N1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzene-1,4-disulfonamide Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NNC(=N3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NNC(=N3)C

InChI

InChI=1S/C19H23N5O4S2/c1-4-24(5-2)30(27,28)16-12-10-15(11-13-16)29(25,26)23-18-9-7-6-8-17(18)19-20-14(3)21-22-19/h6-13,23H,4-5H2,1-3H3,(H,20,21,22)