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

Systemtic Name: 3-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C15H18N4S/c1-10-5-4-6-11(9-10)13-12-7-2-3-8-17-14(12)19(18-13)15(16)20/h4-6,9,18H,2-3,7-8H2,1H3,(H2,16,20)