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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c1-5-21-17(14-7-8-14)19-22(18(21)25)12-20(2)11-13-6-9-15(23-3)16(10-13)24-4/h6,9-10,14H,5,7-8,11-12H2,1-4H3/p+1