O-ethyl (2-isothiocyanato-5-methyl-phenyl)methylsulfanylmethanethioate

Systemtic Name: O-ethyl (2-isothiocyanato-5-methyl-phenyl)methylsulfanylmethanethioate Openeye Name: O-ethyl (2-isothiocyanato-5-methyl-phenyl)methylsulfanylmethanethioate CAS Name: [(2-isothiocyanato-5-methylphenyl)methylthio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (2-isothiocyanato-5-methylphenyl)methylsulfanylmethanethioate Traditional Name: [(2-isothiocyanato-5-methyl-benzyl)thio]methanethioic acid O-ethyl ester Formula: C12H13NOS3 MolecularWeight: 283.43272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC1=C(C=CC(=C1)C)N=C=S

Isomeric SMILES

CCOC(=S)SCC1=C(C=CC(=C1)C)N=C=S

InChI

InChI=1S/C12H13NOS3/c1-3-14-12(16)17-7-10-6-9(2)4-5-11(10)13-8-15/h4-6H,3,7H2,1-2H3