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

Systemtic Name: 4-[2-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylethyl]aniline Openeye Name: 4-[2-[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-(1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl)sulfanylethyl]aniline Traditional Name: [4-[2-[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]thio]ethyl]phenyl]amine Formula: C20H24N4S MolecularWeight: 352.49636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSC(CCC2=CC=NC=C2)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CCSC(CCC2=CC=NC=C2)CN3C=CN=C3)N

InChI

InChI=1S/C20H24N4S/c21-19-4-1-17(2-5-19)9-14-25-20(15-24-13-12-23-16-24)6-3-18-7-10-22-11-8-18/h1-2,4-5,7-8,10-13,16,20H,3,6,9,14-15,21H2