4-[3-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylpropyl]aniline

Systemtic Name: 4-[3-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylpropyl]aniline Openeye Name: 4-[3-[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]sulfanylpropyl]aniline CAS Name: 4-[3-[[1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl]thio]propyl]aniline IUPAC Name: 4-[3-(1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl)sulfanylpropyl]aniline Traditional Name: [4-[3-[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]thio]propyl]phenyl]amine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCSC(CCC2=CC=NC=C2)CN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CC=C1CCCSC(CCC2=CC=NC=C2)CN3C=CN=C3)N

InChI

InChI=1S/C21H26N4S/c22-20-6-3-18(4-7-20)2-1-15-26-21(16-25-14-13-24-17-25)8-5-19-9-11-23-12-10-19/h3-4,6-7,9-14,17,21H,1-2,5,8,15-16,22H2