N-[4-[3-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylpropyl]phenyl]ethanamide

Systemtic Name: N-[4-[3-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylpropyl]phenyl]ethanamide Openeye Name: N-[4-[3-[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]sulfanylpropyl]phenyl]acetamide CAS Name: N-[4-[3-[[1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl]thio]propyl]phenyl]acetamide IUPAC Name: N-[4-[3-(1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl)sulfanylpropyl]phenyl]acetamide Traditional Name: N-[4-[3-[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]thio]propyl]phenyl]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CCCSC(CCC2=CC=NC=C2)CN3C=CN=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CCCSC(CCC2=CC=NC=C2)CN3C=CN=C3

InChI

InChI=1S/C23H28N4OS/c1-19(28)26-22-7-4-20(5-8-22)3-2-16-29-23(17-27-15-14-25-18-27)9-6-21-10-12-24-13-11-21/h4-5,7-8,10-15,18,23H,2-3,6,9,16-17H2,1H3,(H,26,28)