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

Systemtic Name: N4,N4-diethyl-N1-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[3-[3-(methylthio)-1,2,4-triazol-4-yl]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=CC(=C2)N3C=NN=C3SC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=C3SC

InChI

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