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

Systemtic Name: N-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[5-(ethylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(ethylthio)-4-phenethyl-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(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N4OS/c1-2-30-23-27-26-21(28(23)9-8-17-6-4-3-5-7-17)16-25-22(29)24-13-18-10-19(14-24)12-20(11-18)15-24/h3-7,18-20H,2,8-16H2,1H3,(H,25,29)