3,5-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)-1,2,4-triazol-4-ium-4-amine; 4-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate

Systemtic Name: 3,5-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)-1,2,4-triazol-4-ium-4-amine; 4-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate Openeye Name: 4-(4-anilinophenyl)azobenzenesulfonate; 1-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine CAS Name: 4-(4-anilinophenyl)azobenzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,4-triazol-4-ium-4-amine IUPAC Name: 4-[(4-anilinophenyl)diazenyl]benzenesulfonate; 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,4-triazol-4-ium-4-amine Traditional Name: 4-(4-anilinophenyl)azobesylate; [1-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dimethyl-1,2,4-triazol-4-ium-4-yl]amine Formula: C32H41N7O3S MolecularWeight: 603.77804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2C(=[N+](C(=N2)C)N)C)C(C)C.C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1CCC(C(C1)N2C(=[N+](C(=N2)C)N)C)C(C)C.C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C18H15N3O3S.C14H27N4/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(2)13-7-6-10(3)8-14(13)18-12(5)17(15)11(4)16-18/h1-13,19H,(H,22,23,24);9-10,13-14H,6-8,15H2,1-5H3/q;+1/p-1