(4S,5S)-5-methylsulfanyl-4-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-3,4-dihydropyrazole

Systemtic Name: (4S,5S)-5-methylsulfanyl-4-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-3,4-dihydropyrazole Openeye Name: (4S,5S)-5-methylsulfanyl-4-[(E)-2-(1-naphthyl)vinyl]-5-nitro-3,4-dihydropyrazole CAS Name: (4S,5S)-5-(methylthio)-4-[(E)-2-(1-naphthalenyl)ethenyl]-5-nitro-3,4-dihydropyrazole IUPAC Name: (4S,5S)-5-methylsulfanyl-4-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-3,4-dihydropyrazole Traditional Name: (3S,4S)-3-(methylthio)-4-[(E)-2-(1-naphthyl)vinyl]-3-nitro-1-pyrazoline Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(CN=N1)C=CC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CS[C@]1([C@H](CN=N1)/C=C/C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O2S/c1-22-16(19(20)21)14(11-17-18-16)10-9-13-7-4-6-12-5-2-3-8-15(12)13/h2-10,14H,11H2,1H3/b10-9+/t14-,16-/m0/s1