2-hydroxyethyl-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]azanium

Systemtic Name: 2-hydroxyethyl-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]azanium Openeye Name: 2-hydroxyethyl-[2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]ammonium CAS Name: 2-hydroxyethyl-[2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]ammonium IUPAC Name: 2-hydroxyethyl-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]azanium Traditional Name: 2-hydroxyethyl-[2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]ammonium Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC[NH2+]CCO

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC[NH2+]CCO

InChI

InChI=1S/C17H20N4O2S/c1-13-15(7-11-23-13)16-19-20-17(24-12-9-18-8-10-22)21(16)14-5-3-2-4-6-14/h2-7,11,18,22H,8-10,12H2,1H3/p+1