2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-2-benzimidazolyl]thio]acetonitrile IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(4-chlorobenzyl)benzimidazol-2-yl]thio]acetonitrile Formula: C16H12ClN3S MolecularWeight: 313.80458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)SCC#N

InChI

InChI=1S/C16H12ClN3S/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-16(20)21-10-9-18/h1-8H,10-11H2