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

Systemtic Name: 3-[[4-azanyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)sulfanyl]propylammonium CAS Name: 3-[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)thio]propylammonium Formula: C9H20N5S+ MolecularWeight: 230.3536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1N)SCCC[NH3+]

Isomeric SMILES

CC(C)CC1=NN=C(N1N)SCCC[NH3+]

InChI

InChI=1S/C9H19N5S/c1-7(2)6-8-12-13-9(14(8)11)15-5-3-4-10/h7H,3-6,10-11H2,1-2H3/p+1