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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C18H20BrN4S+ MolecularWeight: 404.3472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC[NH3+])C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC[NH3+])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4S/c19-16-8-6-15(7-9-16)17-21-22-18(24-13-11-20)23(17)12-10-14-4-2-1-3-5-14/h1-9H,10-13,20H2/p+1