2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone; 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone; 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone; 4-(4-dimethylaminophenyl)azobenzenesulfonate CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone; 4-(4-dimethylaminophenyl)azobenzenesulfonate IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone; 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone; 4-(4-dimethylaminophenyl)azobesylate Formula: C26H29N7O4S MolecularWeight: 535.61796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CC=C2.CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CC=C2.CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C14H15N3O3S.C12H15N4O/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19,20);3-7H,8,13H2,1-2H3/q;+1/p-1