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

Systemtic Name: 1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c21-13-10-23-15(11-6-2-1-3-7-11)14-16(18-13)20(19-17(14)22)12-8-4-5-9-12/h1-3,6-7,12,15H,4-5,8-10H2,(H,18,21)(H,19,22)