N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-nitro-phenyl]ethanamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-nitro-phenyl]ethanamide Openeye Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-2-nitro-phenyl]acetamide CAS Name: N-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]-2-nitrophenyl]acetamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanyl-2-nitrophenyl]acetamide Traditional Name: N-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]-2-nitro-phenyl]acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O3S/c1-15(27)24-20-9-8-18(12-21(20)26(28)29)30-19(13-25-11-10-23-14-25)7-4-16-2-5-17(22)6-3-16/h2-3,5-6,8-12,14,19H,4,7,13H2,1H3,(H,24,27)