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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C18H22ClN4OS2+ MolecularWeight: 409.97648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4OS2/c1-4-22-17(16-6-5-9-26-16)20-23(18(22)25)12-21(2)11-13-10-14(19)7-8-15(13)24-3/h5-10H,4,11-12H2,1-3H3/p+1