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

Systemtic Name: methyl-[[5-(3-morpholin-4-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[5-(3-morpholinosulfonylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: methyl-[[5-[3-(4-morpholinylsulfonyl)phenyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[5-(3-morpholin-4-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: benzyl-methyl-[[5-(3-morpholinosulfonylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C21H25N4O4S2+ MolecularWeight: 461.5776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24N4O4S2/c1-23(15-17-6-3-2-4-7-17)16-25-21(30)29-20(22-25)18-8-5-9-19(14-18)31(26,27)24-10-12-28-13-11-24/h2-9,14H,10-13,15-16H2,1H3/p+1