1-[5-[2,2-bis(methylsulfanyl)ethenyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[5-[2,2-bis(methylsulfanyl)ethenyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-[2,2-bis(methylsulfanyl)vinyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-[2,2-bis(methylthio)ethenyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-[2,2-bis(methylsulfanyl)ethenyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-[2,2-bis(methylthio)vinyl]-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C15H18N2OS2 MolecularWeight: 306.44622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C=C(SC)SC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(CC(=N1)C=C(SC)SC)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2OS2/c1-11(18)17-14(12-7-5-4-6-8-12)9-13(16-17)10-15(19-2)20-3/h4-8,10,14H,9H2,1-3H3