(2R)-N-(tert-butylcarbamoyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(tert-butylcarbamoyl)propionamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C19H25N5O2S/c1-6-12-24-15(14-10-8-7-9-11-14)22-23-18(24)27-13(2)16(25)20-17(26)21-19(3,4)5/h6-11,13H,1,12H2,2-5H3,(H2,20,21,25,26)/t13-/m1/s1