cyanomethyl 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: cyanomethyl 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: cyanomethyl 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid cyanomethyl ester Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OCC#N

InChI

InChI=1S/C18H14ClN3O2S/c19-14-6-7-16-15(10-14)21-18(25-12-17(23)24-9-8-20)22(16)11-13-4-2-1-3-5-13/h1-7,10H,9,11-12H2