2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(phenylcarbamoyl)propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C(C)(C)C

InChI

InChI=1S/C16H21N5O2S/c1-10(24-15-19-13(20-21-15)16(2,3)4)12(22)18-14(23)17-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,19,20,21)(H2,17,18,22,23)