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

Systemtic Name: 4-(4-hydroxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-hydroxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-hydroxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-hydroxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-hydroxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2S/c16-8-3-1-7(2-4-8)11-9-5-13-15-12(9)14-10(17)6-18-11/h1-5,11,16H,6H2,(H2,13,14,15,17)