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

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C15H16BrN4OS+ MolecularWeight: 380.28274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC[NH3+])C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC[NH3+])C3=CC=C(O3)Br

InChI

InChI=1S/C15H15BrN4OS/c16-13-7-6-12(21-13)14-18-19-15(22-9-8-17)20(14)10-11-4-2-1-3-5-11/h1-7H,8-10,17H2/p+1