3-chloranyl-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C19H22ClN5OS MolecularWeight: 403.92888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=NN1C2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CSC1=NN=NN1C2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C19H22ClN5OS/c1-27-17-22-23-24-25(17)15-4-2-3-14(6-15)21-16(26)18-7-12-5-13(8-18)10-19(20,9-12)11-18/h2-4,6,12-13H,5,7-11H2,1H3,(H,21,26)