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

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

CSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4OS/c1-29-22-26-25-20(27(22)8-7-16-5-3-2-4-6-16)15-24-21(28)23-12-17-9-18(13-23)11-19(10-17)14-23/h2-6,17-19H,7-15H2,1H3,(H,24,28)