methyl N-(4-cyanophenyl)-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-methyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2,3-dimethyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-methylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-2,3-dimethyl-isothiourea Formula: C10H11N3S MolecularWeight: 205.27944

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC=C(C=C1)C#N)SC

Isomeric SMILES

CN=C(NC1=CC=C(C=C1)C#N)SC

InChI

InChI=1S/C10H11N3S/c1-12-10(14-2)13-9-5-3-8(7-11)4-6-9/h3-6H,1-2H3,(H,12,13)