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

Systemtic Name: methyl-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]ammonium CAS Name: methyl-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: benzyl-methyl-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]ammonium Formula: C12H17N4S2+ MolecularWeight: 281.42018

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN(C(=S)S1)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CNC1=NN(C(=S)S1)C[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C12H16N4S2/c1-13-11-14-16(12(17)18-11)9-15(2)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)/p+1