3-cyano-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide Openeye Name: 3-cyano-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide CAS Name: 3-cyano-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide Traditional Name: 3-cyano-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCN2C=NC=N2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCN2C=NC=N2)C#N

InChI

InChI=1S/C12H13N5O2S/c13-8-11-3-1-4-12(7-11)20(18,19)16-5-2-6-17-10-14-9-15-17/h1,3-4,7,9-10,16H,2,5-6H2