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

Systemtic Name: 4-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-benzyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-benzoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C19H17N3O2S/c23-17-12-25-18(16-10-20-22-19(16)21-17)14-6-8-15(9-7-14)24-11-13-4-2-1-3-5-13/h1-10,18H,11-12H2,(H2,20,21,22,23)