(E)-1-(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[3-methyl-5-phenyl-4-(phenylthio)-1-pyrazolyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(3-methyl-5-phenyl-4-phenylsulfanylpyrazol-1-yl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[3-methyl-5-phenyl-4-(phenylthio)pyrazol-1-yl]-3-phenyl-prop-2-en-1-one Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H20N2OS/c1-19-25(29-22-15-9-4-10-16-22)24(21-13-7-3-8-14-21)27(26-19)23(28)18-17-20-11-5-2-6-12-20/h2-18H,1H3/b18-17+