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

Systemtic Name: 4-(4-methylsulfanylphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-methylsulfanylphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-[4-(methylthio)phenyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-methylsulfanylphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-[4-(methylthio)phenyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C13H13N3OS2 MolecularWeight: 291.39182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

CSC1=CC=C(C=C1)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C13H13N3OS2/c1-18-9-4-2-8(3-5-9)12-10-6-14-16-13(10)15-11(17)7-19-12/h2-6,12H,7H2,1H3,(H2,14,15,16,17)