methyl N'-[2-(4-chlorophenyl)ethyl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[2-(4-chlorophenyl)ethyl]-N-cyano-carbamimidothioate Openeye Name: 3-[2-(4-chlorophenyl)ethyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[2-(4-chlorophenyl)ethyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(4-chlorophenyl)ethyl]-N-cyanocarbamimidothioate Traditional Name: 3-[2-(4-chlorophenyl)ethyl]-1-cyano-2-methyl-isothiourea Formula: C11H12ClN3S MolecularWeight: 253.75108

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CC=C(C=C1)Cl)NC#N

Isomeric SMILES

CSC(=NCCC1=CC=C(C=C1)Cl)NC#N

InChI

InChI=1S/C11H12ClN3S/c1-16-11(15-8-13)14-7-6-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,14,15)