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

Systemtic Name: 3-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Openeye Name: 3-[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propylammonium CAS Name: 3-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]propylammonium IUPAC Name: 3-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Traditional Name: 3-[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propylammonium Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCCC[NH3+]

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCCC[NH3+]

InChI

InChI=1S/C14H20N4S/c1-11(2)13-16-17-14(19-10-6-9-15)18(13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,15H2,1-2H3/p+1