(2S)-2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C17H24N6O2S MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2N)C(C)(C)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2N)C(C)(C)C

InChI

InChI=1S/C17H24N6O2S/c1-5-19-15(25)20-13(24)12(11-9-7-6-8-10-11)26-16-22-21-14(23(16)18)17(2,3)4/h6-10,12H,5,18H2,1-4H3,(H2,19,20,24,25)/t12-/m0/s1