4-(4-chlorophenyl)-1-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(4-chlorophenyl)-1-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-chlorophenyl)-1-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-chlorophenyl)-1-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-chlorophenyl)-1-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-chlorophenyl)-1-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C13H12ClN3OS MolecularWeight: 293.77188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=O)CSC(C2=CN1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=NC(=O)CSC(C2=CN1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN3OS/c1-17-13-10(6-15-17)12(19-7-11(18)16-13)8-2-4-9(14)5-3-8/h2-6,12,15H,7H2,1H3