(2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1C2CC2)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1C2CC2)C3=CN=CC=C3

InChI

InChI=1S/C18H24N6O2S/c1-11(15(25)20-16(26)21-18(2,3)4)27-17-23-22-14(24(17)13-7-8-13)12-6-5-9-19-10-12/h5-6,9-11,13H,7-8H2,1-4H3,(H2,20,21,25,26)/t11-/m1/s1