[2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenyl]sulfanyl-5-nitro-phenyl]methyl carbamimidothioate

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenyl]sulfanyl-5-nitro-phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)-4-fluoro-phenyl]sulfanyl-5-nitro-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[[2-[(carbamimidoylthio)methyl]-4-fluorophenyl]thio]-5-nitrophenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluorophenyl]sulfanyl-5-nitrophenyl]methyl carbamimidothioate Traditional Name: 2-[2-[[2-[(amidinothio)methyl]-4-fluoro-phenyl]thio]-5-nitro-benzyl]isothiourea Formula: C16H16FN5O2S3 MolecularWeight: 425.523943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CSC(=N)N)SC2=C(C=C(C=C2)F)CSC(=N)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CSC(=N)N)SC2=C(C=C(C=C2)F)CSC(=N)N

InChI

InChI=1S/C16H16FN5O2S3/c17-11-1-3-13(9(5-11)7-25-15(18)19)27-14-4-2-12(22(23)24)6-10(14)8-26-16(20)21/h1-6H,7-8H2,(H3,18,19)(H3,20,21)