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

Systemtic Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(2,4-dimethoxybenzyl)-methyl-ammonium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=C(C=C(C=C2)OC)OC)C3CC3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=C(C=C(C=C2)OC)OC)C3CC3

InChI

InChI=1S/C18H26N4O2S/c1-5-21-17(13-6-7-13)19-22(18(21)25)12-20(2)11-14-8-9-15(23-3)10-16(14)24-4/h8-10,13H,5-7,11-12H2,1-4H3/p+1