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

Systemtic Name: N4,N4-diethyl-N1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzene-1,4-disulfonamide Formula: C19H23N5O4S3 MolecularWeight: 481.61202

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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=C(C=C2)SC3=NN=CN3C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

InChI

InChI=1S/C19H23N5O4S3/c1-4-24(5-2)31(27,28)18-12-10-17(11-13-18)30(25,26)22-15-6-8-16(9-7-15)29-19-21-20-14-23(19)3/h6-14,22H,4-5H2,1-3H3