diethyl sulfate; N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]-N-(phenylmethyl)aniline

Systemtic Name: diethyl sulfate; N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]-N-(phenylmethyl)aniline Openeye Name: N-benzyl-N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)azo]aniline; diethyl sulfate CAS Name: N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)azo]-N-(phenylmethyl)aniline; sulfuric acid diethyl ester IUPAC Name: N-benzyl-N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]aniline; diethyl sulfate Traditional Name: benzyl-methyl-[4-[(2-methyl-1,2,4-triazol-3-yl)azo]phenyl]amine; sulfuric acid diethyl ester Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)OCC.CN1C(=NC=N1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)OCC.CN1C(=NC=N1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-21-17-18-13-19-23(17)2;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3