3-bromanyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]adamantane-1-carboxamide

Systemtic Name: 3-bromanyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: 3-bromo-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]adamantane-1-carboxamide CAS Name: 3-bromo-N-[1-[(phenylthio)methyl]-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: 3-bromo-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]adamantane-1-carboxamide Traditional Name: 3-bromo-N-[1-[(phenylthio)methyl]pyrazol-4-yl]adamantane-1-carboxamide Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CN(N=C4)CSC5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CN(N=C4)CSC5=CC=CC=C5

InChI

InChI=1S/C21H24BrN3OS/c22-21-9-15-6-16(10-21)8-20(7-15,13-21)19(26)24-17-11-23-25(12-17)14-27-18-4-2-1-3-5-18/h1-5,11-12,15-16H,6-10,13-14H2,(H,24,26)