4-[[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]propanoyl]amino]benzamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCCCCN1C=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C17H23N5O2S/c1-3-4-5-10-22-11-19-21-17(22)25-12(2)16(24)20-14-8-6-13(7-9-14)15(18)23/h6-9,11-12H,3-5,10H2,1-2H3,(H2,18,23)(H,20,24)/t12-/m1/s1