(3-bromophenyl)methyl N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: (3-bromophenyl)methyl N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-2-[(3-bromophenyl)methyl]-1-cyano-isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-(3-bromobenzyl)-1-cyano-isothiourea Formula: C12H12BrN3S MolecularWeight: 310.21278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3S/c1-2-6-15-12(16-9-14)17-8-10-4-3-5-11(13)7-10/h2-5,7H,1,6,8H2,(H,15,16)