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

Systemtic Name: ethyl-(phenylmethyl)-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]azanium Openeye Name: benzyl-ethyl-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: ethyl-(phenylmethyl)-[[5-(3-pyridinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]ammonium IUPAC Name: benzyl-ethyl-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]azanium Traditional Name: benzyl-ethyl-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C17H18N4OS/c1-2-20(12-14-7-4-3-5-8-14)13-21-17(23)22-16(19-21)15-9-6-10-18-11-15/h3-11H,2,12-13H2,1H3/p+1