(2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]azanium

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]azanium Openeye Name: (2-ethylbenzofuran-3-yl)methyl-methyl-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-methyl-[[5-(3-pyridinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]ammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]azanium Traditional Name: (2-ethylbenzofuran-3-yl)methyl-methyl-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C20H20N4O2S/c1-3-17-16(15-8-4-5-9-18(15)25-17)12-23(2)13-24-20(27)26-19(22-24)14-7-6-10-21-11-14/h4-11H,3,12-13H2,1-2H3/p+1