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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC[NH3+])CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-17-12(10-11-6-3-2-4-7-11)15-16-13(17)18-9-5-8-14/h2-4,6-7H,5,8-10,14H2,1H3/p+1