N-[4-[[4-(5-chloranylthiophen-2-yl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(5-chloranylthiophen-2-yl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[3-(5-chloro-2-thienyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[4-(5-chloro-2-thiophenyl)-1-(1-imidazolyl)butan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(5-chlorothiophen-2-yl)-1-imidazol-1-ylbutan-2-yl]sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[3-(5-chloro-2-thienyl)-1-(imidazol-1-ylmethyl)propyl]thio]methyl]phenyl]acetamide Formula: C20H22ClN3OS2 MolecularWeight: 419.99118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CSC(CCC2=CC=C(S2)Cl)CN3C=CN=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CSC(CCC2=CC=C(S2)Cl)CN3C=CN=C3

InChI

InChI=1S/C20H22ClN3OS2/c1-15(25)23-17-4-2-16(3-5-17)13-26-19(12-24-11-10-22-14-24)7-6-18-8-9-20(21)27-18/h2-5,8-11,14,19H,6-7,12-13H2,1H3,(H,23,25)