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

Systemtic Name: (4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-2-phenylethenyl]-3,4-dihydropyrazole Openeye Name: (4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-styryl]-3,4-dihydropyrazole CAS Name: (4S,5S)-5-(methylthio)-5-nitro-4-[(E)-2-phenylethenyl]-3,4-dihydropyrazole IUPAC Name: (4S,5S)-5-methylsulfanyl-5-nitro-4-[(E)-2-phenylethenyl]-3,4-dihydropyrazole Traditional Name: (3S,4S)-3-(methylthio)-3-nitro-4-[(E)-styryl]-1-pyrazoline Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(CN=N1)C=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-18-12(15(16)17)11(9-13-14-12)8-7-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3/b8-7+/t11-,12-/m0/s1