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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylammonium CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]ethylammonium Formula: C12H17N4S+ MolecularWeight: 249.35518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC[NH3+]

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC[NH3+]

InChI

InChI=1S/C12H16N4S/c1-10-14-15-12(17-8-7-13)16(10)9-11-5-3-2-4-6-11/h2-6H,7-9,13H2,1H3/p+1