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

Systemtic Name: ethyl-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: ethyl-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-2-20(12-14-7-4-3-5-8-14)13-21-18(26)25-17(19-21)15-9-6-10-16(11-15)22(23)24/h3-11H,2,12-13H2,1H3/p+1