N-[3-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]ethanamide hydrochloride

Systemtic Name: N-[3-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]ethanamide hydrochloride Openeye Name: N-[3-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]acetamide hydrochloride CAS Name: N-[3-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]acetamide hydrochloride IUPAC Name: N-[3-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]acetamide hydrochloride Traditional Name: N-[3-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]acetamide hydrochloride Formula: C21H23Cl2N3OS MolecularWeight: 436.39782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3.Cl

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3.Cl

InChI

InChI=1S/C21H22ClN3OS.ClH/c1-16(26)24-19-3-2-4-20(13-19)27-21(14-25-12-11-23-15-25)10-7-17-5-8-18(22)9-6-17;/h2-6,8-9,11-13,15,21H,7,10,14H2,1H3,(H,24,26);1H