(4-fluorophenyl)methyl N-cyano-N'-propan-2-yl-carbamimidothioate

Systemtic Name: (4-fluorophenyl)methyl N-cyano-N'-propan-2-yl-carbamimidothioate Openeye Name: 1-cyano-2-[(4-fluorophenyl)methyl]-3-isopropyl-isothiourea CAS Name: N-cyano-N'-propan-2-ylcarbamimidothioic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate Traditional Name: 1-cyano-2-(4-fluorobenzyl)-3-isopropyl-isothiourea Formula: C12H14FN3S MolecularWeight: 251.323063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3S/c1-9(2)16-12(15-8-14)17-7-10-3-5-11(13)6-4-10/h3-6,9H,7H2,1-2H3,(H,15,16)