3-(5-bromanyl-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C15H17BrN4OS/c1-21-12-6-5-9(16)8-11(12)13-10-4-2-3-7-18-14(10)20(19-13)15(17)22/h5-6,8,19H,2-4,7H2,1H3,(H2,17,22)