(4-cyanophenyl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(4-cyanophenyl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-(4-cyanobenzyl)isothiourea Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3S/c1-2-7-15-12(14)16-9-11-5-3-10(8-13)4-6-11/h2-6H,1,7,9H2,(H2,14,15)