5-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-4-methyl-1H-1,2,4-triazol-4-ium

Systemtic Name: 5-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-4-methyl-1H-1,2,4-triazol-4-ium Openeye Name: 5-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-4-methyl-1H-1,2,4-triazol-4-ium CAS Name: 5-(4,5-dihydro-1H-imidazol-2-ylmethylthio)-4-methyl-1H-1,2,4-triazol-4-ium IUPAC Name: 5-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-4-methyl-1H-1,2,4-triazol-4-ium Traditional Name: 5-(2-imidazolin-2-ylmethylthio)-4-methyl-1H-1,2,4-triazol-4-ium Formula: C7H12N5S+ MolecularWeight: 198.26868

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C1)SCC2=NCCN2

Isomeric SMILES

C[N+]1=C(NN=C1)SCC2=NCCN2

InChI

InChI=1S/C7H11N5S/c1-12-5-10-11-7(12)13-4-6-8-2-3-9-6/h5H,2-4H2,1H3,(H,8,9)/p+1