3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-yl]propyl-diethyl-azanium

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-yl]propyl-diethyl-azanium Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)sulfanyl-5-(2-methyl-3-furyl)-1,2,4-triazol-4-yl]propyl-diethyl-ammonium CAS Name: 3-[3-[(2-amino-2-oxoethyl)thio]-5-(2-methyl-3-furanyl)-1,2,4-triazol-4-yl]propyl-diethylammonium IUPAC Name: 3-[3-(2-amino-2-oxoethyl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-yl]propyl-diethylazanium Traditional Name: 3-[3-[(2-amino-2-keto-ethyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazol-4-yl]propyl-diethyl-ammonium Formula: C16H26N5O2S+ MolecularWeight: 352.47494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=NN=C1SCC(=O)N)C2=C(OC=C2)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=NN=C1SCC(=O)N)C2=C(OC=C2)C

InChI

InChI=1S/C16H25N5O2S/c1-4-20(5-2)8-6-9-21-15(13-7-10-23-12(13)3)18-19-16(21)24-11-14(17)22/h7,10H,4-6,8-9,11H2,1-3H3,(H2,17,22)/p+1