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

Systemtic Name: 2-[2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)N)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)N)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N5O2S/c1-2-29-20(13-24-10-15-7-16(11-24)9-17(8-15)12-24)27-28-23(29)32-14-21(30)26-19-6-4-3-5-18(19)22(25)31/h3-6,15-17H,2,7-14H2,1H3,(H2,25,31)(H,26,30)