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

Systemtic Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-[2-(phenylthio)phenyl]propionamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)SC3=NNC(=N3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)SC3=NNC(=N3)C(C)(C)C

InChI

InChI=1S/C21H24N4OS2/c1-14(27-20-23-19(24-25-20)21(2,3)4)18(26)22-16-12-8-9-13-17(16)28-15-10-6-5-7-11-15/h5-14H,1-4H3,(H,22,26)(H,23,24,25)/t14-/m0/s1