3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propylazanium

Systemtic Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Openeye Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propylammonium CAS Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]propylammonium IUPAC Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Traditional Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]propylammonium Formula: C7H15N4S+ MolecularWeight: 187.2858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCCC[NH3+]

Isomeric SMILES

CC1=NN=C(N1C)SCCC[NH3+]

InChI

InChI=1S/C7H14N4S/c1-6-9-10-7(11(6)2)12-5-3-4-8/h3-5,8H2,1-2H3/p+1