4-[[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]amino]benzamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=N2)C(C)(C)C

InChI

InChI=1S/C16H21N5O2S/c1-9(24-15-19-14(20-21-15)16(2,3)4)13(23)18-11-7-5-10(6-8-11)12(17)22/h5-9H,1-4H3,(H2,17,22)(H,18,23)(H,19,20,21)/t9-/m0/s1