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

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone; 4-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone; 4-(4-anilinophenyl)azobenzenesulfonate CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone; 4-(4-anilinophenyl)azobenzenesulfonate IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone; 4-[(4-anilinophenyl)diazenyl]benzenesulfonate Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone; 4-(4-anilinophenyl)azobesylate Formula: C30H29N7O4S MolecularWeight: 583.66076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C18H15N3O3S.C12H15N4O/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h1-13,19H,(H,22,23,24);3-7H,8,13H2,1-2H3/q;+1/p-1