4-(4-bromophenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 4-(4-bromophenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-bromophenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-bromophenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-bromophenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-bromophenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C17H18BrN3O2S/c18-11-7-5-10(6-8-11)15-14-16(19-13(22)9-24-15)21(20-17(14)23)12-3-1-2-4-12/h5-8,12,15H,1-4,9H2,(H,19,22)(H,20,23)