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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,5-dichlorophenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,5-dichlorophenyl)-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,5-dichlorophenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,5-dichlorophenyl)-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H19Cl2N3S MolecularWeight: 404.35596

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CSC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3S/c1-26-18-8-3-2-6-14(18)19-15-7-4-5-11-23-20(15)25(24-19)17-12-13(21)9-10-16(17)22/h2-3,6,8-10,12,24H,4-5,7,11H2,1H3