5-(dipropylamino)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 5-(dipropylamino)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)diazenyl]benzenesulfonic acid Openeye Name: 5-(dipropylamino)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)azo]benzenesulfonic acid CAS Name: 5-(dipropylamino)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)azo]benzenesulfonic acid IUPAC Name: 5-(dipropylamino)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)diazenyl]benzenesulfonic acid Traditional Name: 5-(dipropylamino)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)azo]besylic acid Formula: C17H25N5O3S2 MolecularWeight: 411.5421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)N=NC2=C(C=C(C=C2)N(CCC)CCC)S(=O)(=O)O

Isomeric SMILES

CCCC1=NN=C(S1)N=NC2=C(C=C(C=C2)N(CCC)CCC)S(=O)(=O)O

InChI

InChI=1S/C17H25N5O3S2/c1-4-7-16-19-21-17(26-16)20-18-14-9-8-13(12-15(14)27(23,24)25)22(10-5-2)11-6-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,23,24,25)