N-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-2-chloranyl-2-(3-hexylsulfanyl-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-2-chloranyl-2-(3-hexylsulfanyl-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: N-[3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]phenyl]-2-chloro-2-(3-hexylsulfanyl-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxo-pentanamide CAS Name: N-[3-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]phenyl]-2-chloro-2-[3-(hexylthio)-1,2,4-triazol-1-yl]-4,4-dimethyl-3-oxopentanamide IUPAC Name: N-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-2-chloro-2-(3-hexylsulfanyl-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide Traditional Name: 2-chloro-N-[3-[4-(2,4-ditert-amylphenoxy)butanoylamino]phenyl]-2-[3-(hexylthio)-1,2,4-triazol-1-yl]-3-keto-4,4-dimethyl-valeramide Formula: C41H60ClN5O4S MolecularWeight: 754.4642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN(C=N1)C(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC(=C2)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)Cl

Isomeric SMILES

CCCCCCSC1=NN(C=N1)C(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC(=C2)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)Cl

InChI

InChI=1S/C41H60ClN5O4S/c1-11-14-15-16-25-52-37-43-28-47(46-37)41(42,35(49)38(4,5)6)36(50)45-31-20-17-19-30(27-31)44-34(48)21-18-24-51-33-23-22-29(39(7,8)12-2)26-32(33)40(9,10)13-3/h17,19-20,22-23,26-28H,11-16,18,21,24-25H2,1-10H3,(H,44,48)(H,45,50)