4-(4-bromophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(4-bromophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-bromophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-bromophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-bromophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-bromophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=NC(=O)CSC(C3=CN2)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)N2C3=NC(=O)CSC(C3=CN2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H20BrN3OS/c19-13-8-6-12(7-9-13)17-15-10-20-22(14-4-2-1-3-5-14)18(15)21-16(23)11-24-17/h6-10,14,17,20H,1-5,11H2