3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C11H15N5O2S2 MolecularWeight: 313.3991

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NNC(=N2)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H15N5O2S2/c1-16(2)20(17,18)9-5-3-4-8(6-9)7-19-11-13-10(12)14-15-11/h3-6H,7H2,1-2H3,(H3,12,13,14,15)