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

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(ethylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N4O2S/c1-3-30-20-7-5-19(6-8-20)28-21(26-27-23(28)31-4-2)15-25-22(29)24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,16-18H,3-4,9-15H2,1-2H3,(H,25,29)