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

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-pyrrolidin-1-yl-1H-pyrazol-2-yl]phenyl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[3-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-5-pyrrolidin-1-yl-1H-pyrazol-2-yl]phenyl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-oxo-4-[(1-phenyl-5-tetrazolyl)thio]-5-(1-pyrrolidinyl)-1H-pyrazol-2-yl]phenyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-5-pyrrolidin-1-yl-1H-pyrazol-2-yl]phenyl]butanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-[4-[5-keto-4-[(1-phenyltetrazol-5-yl)thio]-3-pyrrolidino-3-pyrazolin-1-yl]phenyl]butyramide Formula: C40H50N8O3S MolecularWeight: 722.9418

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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=NN4C5=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=NN4C5=CC=CC=C5)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C40H50N8O3S/c1-8-32(51-33-23-18-27(39(4,5)9-2)26-31(33)40(6,7)10-3)36(49)41-28-19-21-30(22-20-28)47-37(50)34(35(43-47)46-24-14-15-25-46)52-38-42-44-45-48(38)29-16-12-11-13-17-29/h11-13,16-23,26,32,43H,8-10,14-15,24-25H2,1-7H3,(H,41,49)