(5-chloranylthiophen-2-yl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C16H19ClN5S2+ MolecularWeight: 380.93856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(S2)Cl)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(S2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C16H18ClN5S2/c1-3-21-15(12-6-8-18-9-7-12)19-22(16(21)23)11-20(2)10-13-4-5-14(17)24-13/h4-9H,3,10-11H2,1-2H3/p+1