methyl N'-[(2-chloranyl-6-phenoxy-phenyl)methyl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[(2-chloranyl-6-phenoxy-phenyl)methyl]-N-cyano-carbamimidothioate Openeye Name: 3-[(2-chloro-6-phenoxy-phenyl)methyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[(2-chloro-6-phenoxyphenyl)methyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(2-chloro-6-phenoxyphenyl)methyl]-N-cyanocarbamimidothioate Traditional Name: 3-(2-chloro-6-phenoxy-benzyl)-1-cyano-2-methyl-isothiourea Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=C(C=CC=C1Cl)OC2=CC=CC=C2)NC#N

Isomeric SMILES

CSC(=NCC1=C(C=CC=C1Cl)OC2=CC=CC=C2)NC#N

InChI

InChI=1S/C16H14ClN3OS/c1-22-16(20-11-18)19-10-13-14(17)8-5-9-15(13)21-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,20)