2-[1-[(4-chlorophenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5,6-dimethyl-benzimidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-benzimidazolyl]thio]acetonitrile IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(4-chlorobenzyl)-5,6-dimethyl-benzimidazol-2-yl]thio]acetonitrile Formula: C18H16ClN3S MolecularWeight: 341.85774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)SCC#N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)SCC#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3S/c1-12-9-16-17(10-13(12)2)22(18(21-16)23-8-7-20)11-14-3-5-15(19)6-4-14/h3-6,9-10H,8,11H2,1-2H3