[3-(carbamimidoylsulfanylmethyl)-2-fluoranyl-phenyl]methyl carbamimidothioate

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-2-fluoranyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-2-fluoro-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-2-fluorophenyl]methyl ester IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-2-fluorophenyl]methyl carbamimidothioate Traditional Name: 2-[3-[(amidinothio)methyl]-2-fluoro-benzyl]isothiourea Formula: C10H13FN4S2 MolecularWeight: 272.365423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CSC(=N)N)F)CSC(=N)N

Isomeric SMILES

C1=CC(=C(C(=C1)CSC(=N)N)F)CSC(=N)N

InChI

InChI=1S/C10H13FN4S2/c11-8-6(4-16-9(12)13)2-1-3-7(8)5-17-10(14)15/h1-3H,4-5H2,(H3,12,13)(H3,14,15)