N-(4-chloranyl-3-ethyl-1,2-thiazol-5-yl)-2-[4-(4-cyanophenoxy)phenyl]ethanethioamide

Systemtic Name: N-(4-chloranyl-3-ethyl-1,2-thiazol-5-yl)-2-[4-(4-cyanophenoxy)phenyl]ethanethioamide Openeye Name: N-(4-chloro-3-ethyl-isothiazol-5-yl)-2-[4-(4-cyanophenoxy)phenyl]thioacetamide CAS Name: N-(4-chloro-3-ethyl-5-isothiazolyl)-2-[4-(4-cyanophenoxy)phenyl]ethanethioamide IUPAC Name: N-(4-chloro-3-ethyl-1,2-thiazol-5-yl)-2-[4-(4-cyanophenoxy)phenyl]ethanethioamide Traditional Name: N-(4-chloro-3-ethyl-isothiazol-5-yl)-2-[4-(4-cyanophenoxy)phenyl]thioacetamide Formula: C20H16ClN3OS2 MolecularWeight: 413.94354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NSC(=C1Cl)NC(=S)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=NSC(=C1Cl)NC(=S)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16ClN3OS2/c1-2-17-19(21)20(27-24-17)23-18(26)11-13-3-7-15(8-4-13)25-16-9-5-14(12-22)6-10-16/h3-10H,2,11H2,1H3,(H,23,26)