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

Systemtic Name: 4-[(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylmethyl]aniline Openeye Name: 4-[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl]thio]methyl]aniline IUPAC Name: 4-[(1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl)sulfanylmethyl]aniline Traditional Name: [4-[[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]thio]methyl]phenyl]amine Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CCC2=CC=NC=C2)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CSC(CCC2=CC=NC=C2)CN3C=CN=C3)N

InChI

InChI=1S/C19H22N4S/c20-18-4-1-17(2-5-18)14-24-19(13-23-12-11-22-15-23)6-3-16-7-9-21-10-8-16/h1-2,4-5,7-12,15,19H,3,6,13-14,20H2