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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C17H24BrN4OS+ MolecularWeight: 412.36766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN4OS/c1-4-21-16(12-5-6-12)19-22(17(21)24)11-20(2)10-13-9-14(18)7-8-15(13)23-3/h7-9,12H,4-6,10-11H2,1-3H3/p+1