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

Systemtic Name: 4-(3-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-chlorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C12H10ClN3OS MolecularWeight: 279.7453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3OS/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)