5-[(4-dimethylaminophenyl)diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine ethanoate

Systemtic Name: 5-[(4-dimethylaminophenyl)diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine ethanoate Openeye Name: 5-(4-dimethylaminophenyl)azo-N,N-diisopropyl-4-methyl-1,3,4-thiadiazol-4-ium-2-amine acetate CAS Name: 5-(4-dimethylaminophenyl)azo-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine acetate IUPAC Name: 5-[(4-dimethylaminophenyl)diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine acetate Traditional Name: [4-[[5-(diisopropylamino)-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]azo]phenyl]-dimethyl-amine acetate Formula: C19H30N6O2S MolecularWeight: 406.5455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=N[N+](=C(S1)N=NC2=CC=C(C=C2)N(C)C)C)C(C)C.CC(=O)[O-]

Isomeric SMILES

CC(C)N(C1=N[N+](=C(S1)N=NC2=CC=C(C=C2)N(C)C)C)C(C)C.CC(=O)[O-]

InChI

InChI=1S/C17H27N6S.C2H4O2/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-2(3)4/h8-13H,1-7H3;1H3,(H,3,4)/q+1;/p-1