3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(methylthio)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(methylthio)phenyl]pyrazole-4-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C21H21N3O3S/c1-24-13-17(21(25)22-15-5-7-16(28-2)8-6-15)20(23-24)14-4-9-18-19(12-14)27-11-3-10-26-18/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)