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

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-chloro-2-thienyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-chloro-2-thiophenyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-chlorothiophen-2-yl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-chloro-2-thienyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NCCCCC2=C(N1)C3=CC=C(S3)Cl

Isomeric SMILES

CCN1C2=NCCCCC2=C(N1)C3=CC=C(S3)Cl

InChI

InChI=1S/C13H16ClN3S/c1-2-17-13-9(5-3-4-8-15-13)12(16-17)10-6-7-11(14)18-10/h6-7,16H,2-5,8H2,1H3