[2,4-dimethyl-5-(thiocyanatomethyl)phenyl]methyl thiocyanate

Systemtic Name: [2,4-dimethyl-5-(thiocyanatomethyl)phenyl]methyl thiocyanate Openeye Name: [2,4-dimethyl-5-(thiocyanatomethyl)phenyl]methyl thiocyanate CAS Name: thiocyanic acid [2,4-dimethyl-5-(thiocyanatomethyl)phenyl]methyl ester IUPAC Name: [2,4-dimethyl-5-(thiocyanatomethyl)phenyl]methyl thiocyanate Traditional Name: thiocyanic acid [2,4-dimethyl-5-(thiocyanatomethyl)benzyl] ester Formula: C12H12N2S2 MolecularWeight: 248.36708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC#N)CSC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1CSC#N)CSC#N)C

InChI

InChI=1S/C12H12N2S2/c1-9-3-10(2)12(6-16-8-14)4-11(9)5-15-7-13/h3-4H,5-6H2,1-2H3