(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: [4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: [4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C19H24N5OS2+ MolecularWeight: 402.55676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(=O)NC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(=O)NC)C3=CC=CS3

InChI

InChI=1S/C19H23N5OS2/c1-4-23-17(16-6-5-11-27-16)21-24(19(23)26)13-22(3)12-14-7-9-15(10-8-14)18(25)20-2/h5-11H,4,12-13H2,1-3H3,(H,20,25)/p+1