4-pyridin-4-yl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-pyridin-4-yl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-pyridyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-pyridin-4-yl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-pyridin-4-yl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-pyridyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C11H10N4OS MolecularWeight: 246.2883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4OS/c16-9-6-17-10(7-1-3-12-4-2-7)8-5-13-15-11(8)14-9/h1-5,10H,6H2,(H2,13,14,15,16)