[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-2-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-3-methyl-isothiourea Formula: C11H9Cl2N3OS MolecularWeight: 302.17966

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCC(=O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CN=C(NC#N)SCC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H9Cl2N3OS/c1-15-11(16-6-14)18-5-10(17)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3,(H,15,16)