4-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylaniline

Systemtic Name: 4-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylaniline Openeye Name: 4-[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]sulfanylaniline CAS Name: 4-[[1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl]thio]aniline IUPAC Name: 4-(1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl)sulfanylaniline Traditional Name: [4-[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]thio]phenyl]amine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)SC(CCC2=CC=NC=C2)CN3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1N)SC(CCC2=CC=NC=C2)CN3C=CN=C3

InChI

InChI=1S/C18H20N4S/c19-16-2-5-17(6-3-16)23-18(13-22-12-11-21-14-22)4-1-15-7-9-20-10-8-15/h2-3,5-12,14,18H,1,4,13,19H2