S-[2-[[2-[[2,5-bis(chloranyl)phenyl]diazenyl]-5-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[2-[[2,5-bis(chloranyl)phenyl]diazenyl]-5-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[2-(2,5-dichlorophenyl)azo-5-(diethylamino)anilino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(2,5-dichlorophenyl)azo-5-(diethylamino)anilino]-2-oxoethyl] ester IUPAC Name: S-[2-[2-[(2,5-dichlorophenyl)diazenyl]-5-(diethylamino)anilino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-(2,5-dichlorophenyl)azo-5-(diethylamino)anilino]-2-keto-ethyl] ester Formula: C20H22Cl2N4O2S MolecularWeight: 453.38528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)Cl)Cl)NC(=O)CSC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)Cl)Cl)NC(=O)CSC(=O)C

InChI

InChI=1S/C20H22Cl2N4O2S/c1-4-26(5-2)15-7-9-17(19(11-15)23-20(28)12-29-13(3)27)24-25-18-10-14(21)6-8-16(18)22/h6-11H,4-5,12H2,1-3H3,(H,23,28)