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

Systemtic Name: 4-(3-propan-2-yloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-isopropoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-propan-2-yloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-propan-2-yloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-isopropoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C15H17N3O2S/c1-9(2)20-11-5-3-4-10(6-11)14-12-7-16-18-15(12)17-13(19)8-21-14/h3-7,9,14H,8H2,1-2H3,(H2,16,17,18,19)