3-thiophen-3-yl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine

Systemtic Name: 3-thiophen-3-yl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Openeye Name: 3-(3-thienyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine CAS Name: 3-(3-thiophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine IUPAC Name: 3-thiophen-3-yl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Traditional Name: 3-(3-thienyl)-1,2,4,5,6,7-hexahydropyrazol[3,4-b]azepine Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2)C3=CSC=C3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2)C3=CSC=C3)C1

InChI

InChI=1S/C11H13N3S/c1-2-5-12-11-9(3-1)10(13-14-11)8-4-6-15-7-8/h4,6-7H,1-3,5H2,(H2,12,13,14)