5-butyl-5-methyl-2-phenyl-1,4-dihydro-1,2,4-triazol-2-ium-3-thiol

Systemtic Name: 5-butyl-5-methyl-2-phenyl-1,4-dihydro-1,2,4-triazol-2-ium-3-thiol Openeye Name: 5-butyl-5-methyl-2-phenyl-1,4-dihydro-1,2,4-triazol-2-ium-3-thiol CAS Name: 5-butyl-5-methyl-2-phenyl-1,4-dihydro-1,2,4-triazol-2-ium-3-thiol IUPAC Name: 5-butyl-5-methyl-2-phenyl-1,4-dihydro-1,2,4-triazol-2-ium-3-thiol Traditional Name: 5-butyl-5-methyl-2-phenyl-1,4-dihydro-1,2,4-triazol-2-ium-3-thiol Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(NC(=[N+](N1)C2=CC=CC=C2)S)C

Isomeric SMILES

CCCCC1(NC(=[N+](N1)C2=CC=CC=C2)S)C

InChI

InChI=1S/C13H19N3S/c1-3-4-10-13(2)14-12(17)16(15-13)11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3,(H,14,17)/p+1