2-[2-cyanoethyl-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-cyanoethyl-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[N-(2-cyanoethyl)-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-dimethyl-ammonium CAS Name: 2-[N-(2-cyanoethyl)-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-dimethylammonium IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-dimethylazanium Traditional Name: 2-[N-(2-cyanoethyl)-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-dimethyl-ammonium Formula: C21H24N7S+ MolecularWeight: 406.52716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N7S/c1-27(2)15-16-28(14-6-13-22)19-11-9-18(10-12-19)24-25-21-23-20(26-29-21)17-7-4-3-5-8-17/h3-5,7-12H,6,14-16H2,1-2H3/p+1