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

Systemtic Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-p-anisyl-ammonium Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-23(13-15-3-7-18(26-2)8-4-15)14-24-20(27)25(17-5-6-17)19(22-24)16-9-11-21-12-10-16/h3-4,7-12,17H,5-6,13-14H2,1-2H3/p+1