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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C18H24BrN4OS+ MolecularWeight: 424.37836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4OS/c1-21(10-13-9-14(19)5-8-16(13)24-2)11-22-18(25)23(15-6-7-15)17(20-22)12-3-4-12/h5,8-9,12,15H,3-4,6-7,10-11H2,1-2H3/p+1