(phenylmethyl) N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: (phenylmethyl) N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-2-benzyl-1-cyano-isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-benzyl-1-cyano-isothiourea Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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