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

Systemtic Name: 4-(3-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

COC1=CC=CC(=C1)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C13H13N3O2S/c1-18-9-4-2-3-8(5-9)12-10-6-14-16-13(10)15-11(17)7-19-12/h2-6,12H,7H2,1H3,(H2,14,15,16,17)