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

Systemtic Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-veratryl-ammonium Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C20H24N4O2S2/c1-22(12-14-6-9-16(25-2)17(11-14)26-3)13-23-20(27)24(15-7-8-15)19(21-23)18-5-4-10-28-18/h4-6,9-11,15H,7-8,12-13H2,1-3H3/p+1