ethyl N-[2-[4-[[3-butyl-1-[5-(butylcarbamoyl)-2-chloranyl-phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate

Systemtic Name: ethyl N-[2-[4-[[3-butyl-1-[5-(butylcarbamoyl)-2-chloranyl-phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate Openeye Name: ethyl N-[2-[4-[[3-butyl-1-[5-(butylcarbamoyl)-2-chloro-phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[3-butyl-1-[5-[butylamino(oxo)methyl]-2-chlorophenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-[[3-butyl-1-[5-(butylcarbamoyl)-2-chlorophenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[3-butyl-1-[5-(butylcarbamoyl)-2-chloro-phenyl]-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid ethyl ester Formula: C33H37ClFN5O6S MolecularWeight: 686.193183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC)F)C4=C(C=CC(=C4)C(=O)NCCCC)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC)F)C4=C(C=CC(=C4)C(=O)NCCCC)Cl

InChI

InChI=1S/C33H37ClFN5O6S/c1-4-7-13-30-37-40(28-20-23(16-17-26(28)34)31(41)36-18-8-5-2)33(43)39(30)21-24-15-14-22(19-27(24)35)25-11-9-10-12-29(25)47(44,45)38-32(42)46-6-3/h9-12,14-17,19-20H,4-8,13,18,21H2,1-3H3,(H,36,41)(H,38,42)