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

Systemtic Name: 3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C16H20N4O2S/c1-21-12-8-5-7-10(14(12)22-2)13-11-6-3-4-9-18-15(11)20(19-13)16(17)23/h5,7-8,19H,3-4,6,9H2,1-2H3,(H2,17,23)