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

Systemtic Name: 1-butan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-phenyl-1-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-butan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-butan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-phenyl-1-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C16H19N3O2S/c1-3-10(2)19-15-13(16(21)18-19)14(22-9-12(20)17-15)11-7-5-4-6-8-11/h4-8,10,14H,3,9H2,1-2H3,(H,17,20)(H,18,21)