3-(5-bromanyl-2-methoxy-phenyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[1-[(phenylthio)methyl]-4-pyrazolyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[1-[(phenylthio)methyl]pyrazol-4-yl]acrylamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O2S/c1-26-19-9-8-16(21)11-15(19)7-10-20(25)23-17-12-22-24(13-17)14-27-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,25)