S-[4-(isocyanomethyl)-3-methyl-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[4-(isocyanomethyl)-3-methyl-phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[4-(isocyanomethyl)-3-methyl-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[4-(isocyanomethyl)-3-methylphenyl] ester IUPAC Name: S-[4-(isocyanomethyl)-3-methylphenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[4-(isocyanomethyl)-3-methyl-phenyl] ester Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC(=O)N(C)C)C[N+]#[C-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC(=O)N(C)C)C[N+]#[C-]

InChI

InChI=1S/C12H14N2OS/c1-9-7-11(16-12(15)14(3)4)6-5-10(9)8-13-2/h5-7H,8H2,1,3-4H3