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

Systemtic Name: 4-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H25N5O2S/c24-21(30)16-11-13-18(14-12-16)25-20(29)15-31-23-26-22(17-7-3-1-4-8-17)28(27-23)19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15H2,(H2,24,30)(H,25,29)