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

Systemtic Name: [5-[(4-ethylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(4-ethylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium CAS Name: [5-(4-ethylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(4-ethylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-(4-ethylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium Formula: C19H23N4S2+ MolecularWeight: 371.54272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4S2/c1-3-15-9-11-17(12-10-15)20-18-21-23(19(24)25-18)14-22(2)13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,20,21)/p+1