2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxidanylidene-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxidanylidene-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[5-oxo-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-4-[(4-phenyl-1,2,4-triazol-3-yl)thio]-3-(1-pyrrolidinyl)-4H-pyrazol-1-yl]phenyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-[4-[5-keto-4-[(4-phenyl-1,2,4-triazol-3-yl)thio]-3-pyrrolidino-2-pyrazolin-1-yl]phenyl]butyramide Formula: C41H51N7O3S MolecularWeight: 721.95374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)C(C(=N2)N3CCCC3)SC4=NN=CN4C5=CC=CC=C5)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)C(C(=N2)N3CCCC3)SC4=NN=CN4C5=CC=CC=C5)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C41H51N7O3S/c1-8-33(51-34-23-18-28(40(4,5)9-2)26-32(34)41(6,7)10-3)37(49)43-29-19-21-31(22-20-29)48-38(50)35(36(45-48)46-24-14-15-25-46)52-39-44-42-27-47(39)30-16-12-11-13-17-30/h11-13,16-23,26-27,33,35H,8-10,14-15,24-25H2,1-7H3,(H,43,49)