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

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H32N4OS MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N4OS/c1-4-30-23-27-26-21(28(23)20-7-15(2)5-6-16(20)3)14-25-22(29)24-11-17-8-18(12-24)10-19(9-17)13-24/h5-7,17-19H,4,8-14H2,1-3H3,(H,25,29)