(E)-3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-1-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-[2-(phenylthio)ethyl]piperazino]prop-2-en-1-one Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c29-24(12-11-21-19-25-28(20-21)22-7-3-1-4-8-22)27-15-13-26(14-16-27)17-18-30-23-9-5-2-6-10-23/h1-12,19-20H,13-18H2/b12-11+