4-[[(2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]amino]benzamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-16(23(31)26-19-14-12-17(13-15-19)21(25)30)32-24-27-22(18-8-4-2-5-9-18)29(28-24)20-10-6-3-7-11-20/h3,6-7,10-16,18H,2,4-5,8-9H2,1H3,(H2,25,30)(H,26,31)/t16-/m1/s1