N-[3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N5O2S/c1-27-13-23-26-21(27)30-12-19(28)24-17-3-2-4-18(8-17)25-20(29)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,13-16H,5-7,9-12H2,1H3,(H,24,28)(H,25,29)