methyl 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoate

Systemtic Name: methyl 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoate Openeye Name: methyl 3-[(4-phenylazophenyl)carbamoylsulfanyl]propanoate CAS Name: 3-[[oxo-(4-phenyldiazenylanilino)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoate Traditional Name: 3-[(4-phenylazophenyl)carbamoylthio]propionic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-23-16(21)11-12-24-17(22)18-13-7-9-15(10-8-13)20-19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,22)