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

Systemtic Name: 4-[2-[4-(5-chloranylthiophen-2-yl)-1-imidazol-1-yl-butan-2-yl]sulfanylethyl]aniline Openeye Name: 4-[2-[3-(5-chloro-2-thienyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[4-(5-chloro-2-thiophenyl)-1-(1-imidazolyl)butan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-[4-(5-chlorothiophen-2-yl)-1-imidazol-1-ylbutan-2-yl]sulfanylethyl]aniline Traditional Name: [4-[2-[[3-(5-chloro-2-thienyl)-1-(imidazol-1-ylmethyl)propyl]thio]ethyl]phenyl]amine Formula: C19H22ClN3S2 MolecularWeight: 391.98108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSC(CCC2=CC=C(S2)Cl)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CCSC(CCC2=CC=C(S2)Cl)CN3C=CN=C3)N

InChI

InChI=1S/C19H22ClN3S2/c20-19-8-7-17(25-19)5-6-18(13-23-11-10-22-14-23)24-12-9-15-1-3-16(21)4-2-15/h1-4,7-8,10-11,14,18H,5-6,9,12-13,21H2