4-(3-bromophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3-bromophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-bromophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-bromophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-bromophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-bromophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C12H10BrN3OS MolecularWeight: 324.1963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC(=CC=C3)Br

Isomeric SMILES

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC(=CC=C3)Br

InChI

InChI=1S/C12H10BrN3OS/c13-8-3-1-2-7(4-8)11-9-5-14-16-12(9)15-10(17)6-18-11/h1-5,11H,6H2,(H2,14,15,16,17)