2-(4-chloranyl-2,5-dimethyl-phenyl)sulfanylethanenitrile

Systemtic Name: 2-(4-chloranyl-2,5-dimethyl-phenyl)sulfanylethanenitrile Openeye Name: 2-(4-chloro-2,5-dimethyl-phenyl)sulfanylacetonitrile CAS Name: 2-[(4-chloro-2,5-dimethylphenyl)thio]acetonitrile IUPAC Name: 2-(4-chloro-2,5-dimethylphenyl)sulfanylacetonitrile Traditional Name: 2-[(4-chloro-2,5-dimethyl-phenyl)thio]acetonitrile Formula: C10H10ClNS MolecularWeight: 211.7111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)SCC#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)SCC#N

InChI

InChI=1S/C10H10ClNS/c1-7-6-10(13-4-3-12)8(2)5-9(7)11/h5-6H,4H2,1-2H3