5-[2,5-bis(fluoranyl)phenyl]-2-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propyl]-N,N-dimethyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide

Systemtic Name: 5-[2,5-bis(fluoranyl)phenyl]-2-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propyl]-N,N-dimethyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide Openeye Name: 2-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propyl]-5-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide CAS Name: 2-[3-[[(cyanoamino)-methyliminomethyl]amino]propyl]-5-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide IUPAC Name: 2-[3-[(N-cyano-N'-methylcarbamimidoyl)amino]propyl]-5-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide Traditional Name: 2-[3-[(N-cyano-N'-methyl-amidino)amino]propyl]-5-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide Formula: C23H25F2N7OS MolecularWeight: 485.552706

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCCC1(N(N=C(S1)C2=C(C=CC(=C2)F)F)C(=O)N(C)C)C3=CC=CC=C3)NC#N

Isomeric SMILES

CN=C(NCCCC1(N(N=C(S1)C2=C(C=CC(=C2)F)F)C(=O)N(C)C)C3=CC=CC=C3)NC#N

InChI

InChI=1S/C23H25F2N7OS/c1-27-21(29-15-26)28-13-7-12-23(16-8-5-4-6-9-16)32(22(33)31(2)3)30-20(34-23)18-14-17(24)10-11-19(18)25/h4-6,8-11,14H,7,12-13H2,1-3H3,(H2,27,28,29)