[5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(3-ethoxypropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium CAS Name: [5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-(3-ethoxypropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium Formula: C16H25N4OS2+ MolecularWeight: 353.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN(C(=S)S1)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CCOCCCNC1=NN(C(=S)S1)C[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N4OS2/c1-3-21-11-7-10-17-15-18-20(16(22)23-15)13-19(2)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,17,18)/p+1