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

Systemtic Name: 3-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]propylammonium Formula: C16H20N5S+ MolecularWeight: 314.4285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCC[NH3+]

InChI

InChI=1S/C16H19N5S/c17-9-4-10-22-16-20-19-15(21(16)18)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11,17-18H2/p+1