N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-N-methylsulfanyl-methanethioamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-N-methylsulfanyl-methanethioamide Openeye Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-N-methylsulfanyl-thioformamide CAS Name: N-[4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxyphenyl]-N-(methylthio)methanethioamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylsulfanylmethanethioamide Traditional Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-N-(methylthio)thioformamide Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

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Descriptors Computed from Structure

Canonical SMILES:

CSN(C=S)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CSN(C=S)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C21H22ClN3OS2/c1-28-25(16-27)19-7-10-20(11-8-19)26-21(14-24-13-12-23-15-24)9-4-17-2-5-18(22)6-3-17/h2-3,5-8,10-13,15-16,21H,4,9,14H2,1H3