(4-cyanophenyl)methyl N'-ethylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-ethylcarbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-ethyl-isothiourea CAS Name: N'-ethylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-ethylcarbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-ethyl-isothiourea Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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