4-(4-methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 4-(4-methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-isopropyl-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-isopropyl-4-(p-tolyl)-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:

CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C

InChI

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