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

Systemtic Name: 3-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-[2-(methylthio)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-[2-(methylthio)ethyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C11H18N4S2 MolecularWeight: 270.41742

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=C2CCCCN=C2N(N1)C(=S)N

Isomeric SMILES

CSCCC1=C2CCCCN=C2N(N1)C(=S)N

InChI

InChI=1S/C11H18N4S2/c1-17-7-5-9-8-4-2-3-6-13-10(8)15(14-9)11(12)16/h14H,2-7H2,1H3,(H2,12,16)