3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]pyrazole-4-carboxamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=CC(=C4)N5C=CNC5=S

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=CC(=C4)N5C=CNC5=S

InChI

InChI=1S/C23H21N5O3S/c1-27-14-18(21(26-27)15-6-7-19-20(12-15)31-11-3-10-30-19)22(29)25-16-4-2-5-17(13-16)28-9-8-24-23(28)32/h2,4-9,12-14H,3,10-11H2,1H3,(H,24,32)(H,25,29)