2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethylammonium CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethylammonium IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethylazanium Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethylammonium Formula: C16H17N4S+ MolecularWeight: 297.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC[NH3+]

InChI

InChI=1S/C16H16N4S/c17-11-12-21-16-19-18-15(13-7-3-1-4-8-13)20(16)14-9-5-2-6-10-14/h1-10H,11-12,17H2/p+1