2-bromanyl-4,5-dimethoxy-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzamide

Systemtic Name: 2-bromanyl-4,5-dimethoxy-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzamide Openeye Name: 2-bromo-4,5-dimethoxy-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzamide CAS Name: 2-bromo-4,5-dimethoxy-N-[1-[(phenylthio)methyl]-4-pyrazolyl]benzamide IUPAC Name: 2-bromo-4,5-dimethoxy-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzamide Traditional Name: 2-bromo-4,5-dimethoxy-N-[1-[(phenylthio)methyl]pyrazol-4-yl]benzamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C19H18BrN3O3S/c1-25-17-8-15(16(20)9-18(17)26-2)19(24)22-13-10-21-23(11-13)12-27-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,24)