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

Systemtic Name: 4-(3-phenoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-phenoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-phenoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-phenoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-phenoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C18H15N3O2S/c22-16-11-24-17(15-10-19-21-18(15)20-16)12-5-4-8-14(9-12)23-13-6-2-1-3-7-13/h1-10,17H,11H2,(H2,19,20,21,22)