2-[5-(3-chlorophenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]ethanenitrile

Systemtic Name: 2-[5-(3-chlorophenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]ethanenitrile Openeye Name: 2-[5-(3-chlorophenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]acetonitrile CAS Name: 2-[5-[(3-chlorophenyl)thio]-1,2-dimethyl-4-imidazolyl]acetonitrile IUPAC Name: 2-[5-(3-chlorophenyl)sulfanyl-1,2-dimethylimidazol-4-yl]acetonitrile Traditional Name: 2-[5-[(3-chlorophenyl)thio]-1,2-dimethyl-imidazol-4-yl]acetonitrile Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)SC2=CC(=CC=C2)Cl)CC#N

Isomeric SMILES

CC1=NC(=C(N1C)SC2=CC(=CC=C2)Cl)CC#N

InChI

InChI=1S/C13H12ClN3S/c1-9-16-12(6-7-15)13(17(9)2)18-11-5-3-4-10(14)8-11/h3-5,8H,6H2,1-2H3