N-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H32N4O3S/c1-36-24-9-7-23(8-10-24)33-26(31-32-28(33)37-18-25(34)22-5-3-2-4-6-22)17-30-27(35)29-14-19-11-20(15-29)13-21(12-19)16-29/h2-10,19-21H,11-18H2,1H3,(H,30,35)