1-butyl-4-(4-methoxyphenyl)-1,2,3-triazole; methanesulfonate

Systemtic Name: 1-butyl-4-(4-methoxyphenyl)-1,2,3-triazole; methanesulfonate Openeye Name: 1-butyl-4-(4-methoxyphenyl)triazole; methanesulfonate CAS Name: 1-butyl-4-(4-methoxyphenyl)triazole; methanesulfonate IUPAC Name: 1-butyl-4-(4-methoxyphenyl)triazole; methanesulfonate Traditional Name: 1-butyl-4-(4-methoxyphenyl)triazole mesylate Formula: C14H20N3O4S- MolecularWeight: 326.3913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(N=N1)C2=CC=C(C=C2)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=C(N=N1)C2=CC=C(C=C2)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H17N3O.CH4O3S/c1-3-4-9-16-10-13(14-15-16)11-5-7-12(17-2)8-6-11;1-5(2,3)4/h5-8,10H,3-4,9H2,1-2H3;1H3,(H,2,3,4)/p-1