2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethylammonium CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]ethylammonium IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]ethylammonium Formula: C8H18N5S+ MolecularWeight: 216.32702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC[NH3+]

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC[NH3+]

InChI

InChI=1S/C8H17N5S/c1-2-3-4-7-11-12-8(13(7)10)14-6-5-9/h2-6,9-10H2,1H3/p+1