phenethyl N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: phenethyl N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-cyano-2-phenethyl-isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid phenethyl ester IUPAC Name: phenethyl N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-cyano-2-phenethyl-isothiourea Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NC#N)SCCC1=CC=CC=C1

Isomeric SMILES

C=CCN=C(NC#N)SCCC1=CC=CC=C1

InChI

InChI=1S/C13H15N3S/c1-2-9-15-13(16-11-14)17-10-8-12-6-4-3-5-7-12/h2-7H,1,8-10H2,(H,15,16)