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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(tert-butylcarbamoyl)propanamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(tert-butylcarbamoyl)propionamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C20H27N5O2S/c1-13(17(26)21-18(27)22-20(2,3)4)28-19-24-23-16(15-10-11-15)25(19)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H2,21,22,26,27)