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

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4OS/c1-14-4-5-15(2)19(6-14)27-20(25-26-22(27)29-3)13-24-21(28)23-10-16-7-17(11-23)9-18(8-16)12-23/h4-6,16-18H,7-13H2,1-3H3,(H,24,28)