3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylazanium

Systemtic Name: 3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylazanium Openeye Name: 3-(4-isopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylammonium CAS Name: 3-[4-(3-methylbutyl)-5-(methylthio)-1,2,4-triazol-3-yl]propylammonium IUPAC Name: 3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylazanium Traditional Name: 3-[4-isoamyl-5-(methylthio)-1,2,4-triazol-3-yl]propylammonium Formula: C11H23N4S+ MolecularWeight: 243.39212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SC)CCC[NH3+]

Isomeric SMILES

CC(C)CCN1C(=NN=C1SC)CCC[NH3+]

InChI

InChI=1S/C11H22N4S/c1-9(2)6-8-15-10(5-4-7-12)13-14-11(15)16-3/h9H,4-8,12H2,1-3H3/p+1