(4-cyanophenyl)methyl N'-methylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-methylcarbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-methyl-isothiourea Formula: C10H11N3S MolecularWeight: 205.27944

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCC1=CC=C(C=C1)C#N

Isomeric SMILES

CN=C(N)SCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C10H11N3S/c1-13-10(12)14-7-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3,(H2,12,13)