(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3CC3)C4CC4

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3CC3)C4CC4

InChI

InChI=1S/C18H24N4OS/c1-20(11-12-23-16-5-3-2-4-6-16)13-21-18(24)22(15-9-10-15)17(19-21)14-7-8-14/h2-6,14-15H,7-13H2,1H3/p+1