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

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)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(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2S/c1-6-11-24-14(13-7-9-19-10-8-13)22-23-17(24)27-12(2)15(25)20-16(26)21-18(3,4)5/h6-10,12H,1,11H2,2-5H3,(H2,20,21,25,26)/t12-/m1/s1