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

Systemtic Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-p-anisyl-ammonium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3CC3)C4CC4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3CC3)C4CC4

InChI

InChI=1S/C18H24N4OS/c1-20(11-13-3-9-16(23-2)10-4-13)12-21-18(24)22(15-7-8-15)17(19-21)14-5-6-14/h3-4,9-10,14-15H,5-8,11-12H2,1-2H3/p+1