2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-15-12-20(24(23-15)16-6-3-2-4-7-16)22-21(25)14-28-17-8-9-18-19(13-17)27-11-5-10-26-18/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,22,25)