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

Systemtic Name: 2-[[4-azanyl-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[4-amino-5-(4-chlorobenzyl)-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C11H15ClN5S+ MolecularWeight: 284.7883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCC[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCC[NH3+])Cl

InChI

InChI=1S/C11H14ClN5S/c12-9-3-1-8(2-4-9)7-10-15-16-11(17(10)14)18-6-5-13/h1-4H,5-7,13-14H2/p+1