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

Systemtic Name: N-[4-[(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[(1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl)sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]thio]methyl]phenyl]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-17(26)24-20-5-2-19(3-6-20)15-27-21(14-25-13-12-23-16-25)7-4-18-8-10-22-11-9-18/h2-3,5-6,8-13,16,21H,4,7,14-15H2,1H3,(H,24,26)