4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CN(NC1=S)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC[N+]1=CN(NC1=S)C2=CC=CC=C2

InChI

InChI=1S/C16H23N3S/c1-2-3-4-5-6-10-13-18-14-19(17-16(18)20)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3/p+1