(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H18N4O2S/c1-9-14(10(2)20(4)19-9)18-15(21)11(3)23-16-17-12-7-5-6-8-13(12)22-16/h5-8,11H,1-4H3,(H,18,21)/t11-/m0/s1