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

Systemtic Name: 3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C15H18N4S2 MolecularWeight: 318.46022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

CSC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C15H18N4S2/c1-21-12-8-3-2-6-10(12)13-11-7-4-5-9-17-14(11)19(18-13)15(16)20/h2-3,6,8,18H,4-5,7,9H2,1H3,(H2,16,20)