(4S,5S)-4-[(E)-2-(4-methylphenyl)ethenyl]-5-methylsulfanyl-5-nitro-3,4-dihydropyrazole

Systemtic Name: (4S,5S)-4-[(E)-2-(4-methylphenyl)ethenyl]-5-methylsulfanyl-5-nitro-3,4-dihydropyrazole Openeye Name: (4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-2-(p-tolyl)vinyl]-3,4-dihydropyrazole CAS Name: (4S,5S)-4-[(E)-2-(4-methylphenyl)ethenyl]-5-(methylthio)-5-nitro-3,4-dihydropyrazole IUPAC Name: (4S,5S)-4-[(E)-2-(4-methylphenyl)ethenyl]-5-methylsulfanyl-5-nitro-3,4-dihydropyrazole Traditional Name: (3S,4S)-3-(methylthio)-3-nitro-4-[(E)-2-(p-tolyl)vinyl]-1-pyrazoline Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2CN=NC2([N+](=O)[O-])SC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/[C@H]2CN=N[C@@]2([N+](=O)[O-])SC

InChI

InChI=1S/C13H15N3O2S/c1-10-3-5-11(6-4-10)7-8-12-9-14-15-13(12,19-2)16(17)18/h3-8,12H,9H2,1-2H3/b8-7+/t12-,13-/m0/s1