methyl N'-(3-chloranyl-4-methyl-phenyl)-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-(3-chloranyl-4-methyl-phenyl)-N-cyano-carbamimidothioate Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-cyano-2-methyl-isothiourea CAS Name: N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-cyano-2-methyl-isothiourea Formula: C10H10ClN3S MolecularWeight: 239.7245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(NC#N)SC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(NC#N)SC)Cl

InChI

InChI=1S/C10H10ClN3S/c1-7-3-4-8(5-9(7)11)14-10(15-2)13-6-12/h3-5H,1-2H3,(H,13,14)