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

Systemtic Name: 3-methyl-4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 3-methyl-4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 3-methyl-4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 3-methyl-4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 3-methyl-4-octyl-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3S/c1-3-4-5-6-7-11-14-19-15(2)20(18-17(19)21)16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14H2,1-2H3/p+1