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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-ethyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-ethyl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-ethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-ethylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-ethyl-2-methyl-isothiourea Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3S/c1-3-13-11(15-2)14-10-6-4-9(8-12)5-7-10/h4-7H,3H2,1-2H3,(H,13,14)