(4-cyanophenyl)methyl N,N'-dimethylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N,N'-dimethylcarbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-1,3-dimethyl-isothiourea CAS Name: N,N'-dimethylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N,N'-dimethylcarbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-1,3-dimethyl-isothiourea Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=CC=C(C=C1)C#N

Isomeric SMILES

CNC(=NC)SCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H13N3S/c1-13-11(14-2)15-8-10-5-3-9(7-12)4-6-10/h3-6H,8H2,1-2H3,(H,13,14)