(E)-1-(3-methoxy-4-oxidanyl-phenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3-methoxy-4-oxidanyl-phenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]prop-2-en-1-one Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC(=C(C=C2)O)OC)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC(=C(C=C2)O)OC)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O3S/c1-19-23(14-16-24(33)21-13-15-25(34)26(18-21)35-2)29(32(31-19)22-10-4-3-5-11-22)36-27-12-6-8-20-9-7-17-30-28(20)27/h3-18,34H,1-2H3/b16-14+