2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethylammonium CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]ethylammonium IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]ethylammonium Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH3+])CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC[NH3+])CCC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-17-12(15-16-13(17)18-10-9-14)8-7-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3/p+1