N-[3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC=NN5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC=NN5

InChI

InChI=1S/C21H25N5O2S/c27-18(11-29-20-22-12-23-26-20)24-16-2-1-3-17(7-16)25-19(28)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,12-15H,4-6,8-11H2,(H,24,27)(H,25,28)(H,22,23,26)