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

Systemtic Name: N-[[4-ethyl-5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-ethyl-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-ethyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O3S/c1-3-30-21(14-26-23(32)25-11-16-8-17(12-25)10-18(9-16)13-25)28-29-24(30)34-15-22(31)27-19-4-6-20(33-2)7-5-19/h4-7,16-18H,3,8-15H2,1-2H3,(H,26,32)(H,27,31)