1-[3-[5-[2,5-bis(fluoranyl)phenyl]-3-cyclobutylcarbonyl-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-3-cyano-2-methyl-guanidine

Systemtic Name: 1-[3-[5-[2,5-bis(fluoranyl)phenyl]-3-cyclobutylcarbonyl-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-3-cyano-2-methyl-guanidine Openeye Name: 1-cyano-3-[3-[3-(cyclobutanecarbonyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-2-methyl-guanidine CAS Name: 1-cyano-3-[3-[3-[cyclobutyl(oxo)methyl]-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-2-methylguanidine IUPAC Name: 1-cyano-3-[3-[3-(cyclobutanecarbonyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-2-methylguanidine Traditional Name: 1-cyano-3-[3-[3-(cyclobutanecarbonyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-2-methyl-guanidine Formula: C25H26F2N6OS MolecularWeight: 496.575346

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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)C3CCC3)C4=CC=CC=C4)NC#N

Isomeric SMILES

CN=C(NCCCC1(N(N=C(S1)C2=C(C=CC(=C2)F)F)C(=O)C3CCC3)C4=CC=CC=C4)NC#N

InChI

InChI=1S/C25H26F2N6OS/c1-29-24(31-16-28)30-14-6-13-25(18-9-3-2-4-10-18)33(23(34)17-7-5-8-17)32-22(35-25)20-15-19(26)11-12-21(20)27/h2-4,9-12,15,17H,5-8,13-14H2,1H3,(H2,29,30,31)