5-[(5-oxidanylidene-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-propyl-benzenesulfonamide

Systemtic Name: 5-[(5-oxidanylidene-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-propyl-benzenesulfonamide Openeye Name: 5-[(5-oxo-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-propyl-benzenesulfonamide CAS Name: 5-[(5-oxo-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-propylbenzenesulfonamide IUPAC Name: 5-[(5-oxo-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-propylbenzenesulfonamide Traditional Name: 5-[(5-keto-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-propyl-benzenesulfonamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)N)CC3=NC(=O)N=N3

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)N)CC3=NC(=O)N=N3

InChI

InChI=1S/C18H18N4O3S/c1-2-6-13-9-15(12-7-4-3-5-8-12)16(26(19,24)25)10-14(13)11-17-20-18(23)22-21-17/h3-5,7-10H,2,6,11H2,1H3,(H2,19,24,25)