(4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-5-(phenylsulfanylmethyl)pyrazol-3-one

Systemtic Name: (4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-5-(phenylsulfanylmethyl)pyrazol-3-one Openeye Name: (4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-5-(phenylsulfanylmethyl)pyrazol-3-one CAS Name: (4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-5-[(phenylthio)methyl]-3-pyrazolone IUPAC Name: (4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-5-(phenylsulfanylmethyl)pyrazol-3-one Traditional Name: (4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-5-[(phenylthio)methyl]-2-pyrazolin-3-one Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H20N2OS/c28-25-23(18-10-13-20-11-4-1-5-12-20)24(19-29-22-16-8-3-9-17-22)26-27(25)21-14-6-2-7-15-21/h1-18H,19H2/b13-10+,23-18-