2,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C17H18N4O2S/c1-13-3-4-14(2)17(9-13)24(22,23)20-16-7-5-15(6-8-16)10-21-12-18-11-19-21/h3-9,11-12,20H,10H2,1-2H3