4-[[4-(5-chloranylthiophen-2-yl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]aniline

Systemtic Name: 4-[[4-(5-chloranylthiophen-2-yl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethyl]aniline Openeye Name: 4-[[3-(5-chloro-2-thienyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[4-(5-chloro-2-thiophenyl)-1-(1-imidazolyl)butan-2-yl]thio]methyl]aniline IUPAC Name: 4-[[4-(5-chlorothiophen-2-yl)-1-imidazol-1-ylbutan-2-yl]sulfanylmethyl]aniline Traditional Name: [4-[[[3-(5-chloro-2-thienyl)-1-(imidazol-1-ylmethyl)propyl]thio]methyl]phenyl]amine Formula: C18H20ClN3S2 MolecularWeight: 377.9545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CCC2=CC=C(S2)Cl)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CSC(CCC2=CC=C(S2)Cl)CN3C=CN=C3)N

InChI

InChI=1S/C18H20ClN3S2/c19-18-8-7-16(24-18)5-6-17(11-22-10-9-21-13-22)23-12-14-1-3-15(20)4-2-14/h1-4,7-10,13,17H,5-6,11-12,20H2