4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-methoxy-aniline

Systemtic Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-methoxy-aniline Openeye Name: 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-2-methoxy-aniline CAS Name: 4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]-2-methoxyaniline IUPAC Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanyl-2-methoxyaniline Traditional Name: [4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]-2-methoxy-phenyl]amine Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

Isomeric SMILES

COC1=C(C=CC(=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)N

InChI

InChI=1S/C20H22ClN3OS/c1-25-20-12-17(8-9-19(20)22)26-18(13-24-11-10-23-14-24)7-4-15-2-5-16(21)6-3-15/h2-3,5-6,8-12,14,18H,4,7,13,22H2,1H3