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

Systemtic Name: cyclopropyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-p-anisyl-ammonium Formula: C20H25N4OS2+ MolecularWeight: 401.5687

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C4=CC=CS4

InChI

InChI=1S/C20H24N4OS2/c1-3-23-19(18-5-4-12-27-18)21-24(20(23)26)14-22(16-8-9-16)13-15-6-10-17(25-2)11-7-15/h4-7,10-12,16H,3,8-9,13-14H2,1-2H3/p+1