4-[[3-[[6-(3-chlorophenyl)sulfanylpyridin-3-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[[6-(3-chlorophenyl)sulfanylpyridin-3-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[[6-(3-chlorophenyl)sulfanyl-3-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: 4-[[3-[[6-[(3-chlorophenyl)thio]-3-pyridinyl]methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[[6-(3-chlorophenyl)sulfanylpyridin-3-yl]methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[[6-[(3-chlorophenyl)thio]-3-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile Formula: C23H17ClN4S MolecularWeight: 416.92588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)SC2=NC=C(C=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)SC2=NC=C(C=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17ClN4S/c24-20-2-1-3-22(11-20)29-23-9-8-19(13-27-23)15-28-16-26-14-21(28)10-17-4-6-18(12-25)7-5-17/h1-9,11,13-14,16H,10,15H2