(4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole

Systemtic Name: (4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole Openeye Name: (4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-2-(2-thienyl)vinyl]-3,4-dihydropyrazole CAS Name: (4S,5S)-5-(methylthio)-5-nitro-4-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole IUPAC Name: (4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole Traditional Name: (3S,4S)-3-(methylthio)-3-nitro-4-[(E)-2-(2-thienyl)vinyl]-1-pyrazoline Formula: C10H11N3O2S2 MolecularWeight: 269.34324

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(CN=N1)C=CC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CS[C@]1([C@H](CN=N1)/C=C/C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O2S2/c1-16-10(13(14)15)8(7-11-12-10)4-5-9-3-2-6-17-9/h2-6,8H,7H2,1H3/b5-4+/t8-,10-/m0/s1