methyl N'-(3-chlorophenyl)-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-(3-chlorophenyl)-N-cyano-carbamimidothioate Openeye Name: 3-(3-chlorophenyl)-1-cyano-2-methyl-isothiourea CAS Name: N'-(3-chlorophenyl)-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(3-chlorophenyl)-N-cyanocarbamimidothioate Traditional Name: 3-(3-chlorophenyl)-1-cyano-2-methyl-isothiourea Formula: C9H8ClN3S MolecularWeight: 225.69792

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC(=CC=C1)Cl)NC#N

Isomeric SMILES

CSC(=NC1=CC(=CC=C1)Cl)NC#N

InChI

InChI=1S/C9H8ClN3S/c1-14-9(12-6-11)13-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,12,13)