N-[[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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