methyl 3-[[5-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-[4-[2-cyanoethyl(ethyl)amino]phenyl]azo-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[4-[2-cyanoethyl(ethyl)amino]phenyl]azo-1,2,4-thiadiazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[4-[2-cyanoethyl(ethyl)amino]phenyl]azo-1,2,4-thiadiazol-3-yl]thio]propionic acid methyl ester Formula: C17H20N6O2S2 MolecularWeight: 404.5097

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC(=NS2)SCCC(=O)OC

Isomeric SMILES

CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC(=NS2)SCCC(=O)OC

InChI

InChI=1S/C17H20N6O2S2/c1-3-23(11-4-10-18)14-7-5-13(6-8-14)20-21-16-19-17(22-27-16)26-12-9-15(24)25-2/h5-8H,3-4,9,11-12H2,1-2H3