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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-veratryl-ammonium Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S/c1-5-18-10-16-19(15(18)22)11-17(2)9-12-6-7-13(20-3)14(8-12)21-4/h6-8,10H,5,9,11H2,1-4H3/p+1