(2S)-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C25H33N7OS MolecularWeight: 479.64082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C)SC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C)SC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C25H33N7OS/c1-17(34-24-28-27-23(30-14-8-9-15-30)31(24)18-12-13-18)22(33)26-21-16-20(25(2,3)4)29-32(21)19-10-6-5-7-11-19/h5-7,10-11,16-18H,8-9,12-15H2,1-4H3,(H,26,33)/t17-/m0/s1