3-(1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C23H17N3O3S/c27-23(24-17-8-4-5-9-22(17)30-16-6-2-1-3-7-16)19-13-18(25-26-19)15-10-11-20-21(12-15)29-14-28-20/h1-13H,14H2,(H,24,27)(H,25,26)