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

Systemtic Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C22H27BrN4OS MolecularWeight: 475.44498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4OS/c1-2-29-21-26-25-19(27(21)18-5-3-17(23)4-6-18)13-24-20(28)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,24,28)