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

Systemtic Name: 2-[[4-azanyl-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[4-amino-5-(3,4-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C13H20N5S+ MolecularWeight: 278.3964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=NN=C(N2N)SCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=NN=C(N2N)SCC[NH3+])C

InChI

InChI=1S/C13H19N5S/c1-9-3-4-11(7-10(9)2)8-12-16-17-13(18(12)15)19-6-5-14/h3-4,7H,5-6,8,14-15H2,1-2H3/p+1