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

Systemtic Name: 3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(5-methyl-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C13H16N4S2 MolecularWeight: 292.42294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

CC1=CC=C(S1)C2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C13H16N4S2/c1-8-5-6-10(19-8)11-9-4-2-3-7-15-12(9)17(16-11)13(14)18/h5-6,16H,2-4,7H2,1H3,(H2,14,18)