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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2C)SCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2C)SCC[NH3+])C

InChI

InChI=1S/C13H18N4S/c1-9-4-5-11(8-10(9)2)12-15-16-13(17(12)3)18-7-6-14/h4-5,8H,6-7,14H2,1-3H3/p+1