2-(4-dodecylsulfanylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazole

Systemtic Name: 2-(4-dodecylsulfanylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazole Openeye Name: 2-(4-dodecylsulfanylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazole CAS Name: 2-[4-(dodecylthio)phenyl]-5-(4-nitrophenyl)-3,4-dihydropyrazole IUPAC Name: 2-(4-dodecylsulfanylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazole Traditional Name: 1-[4-(laurylthio)phenyl]-3-(4-nitrophenyl)-2-pyrazoline Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCSC1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H37N3O2S/c1-2-3-4-5-6-7-8-9-10-11-22-33-26-18-16-24(17-19-26)29-21-20-27(28-29)23-12-14-25(15-13-23)30(31)32/h12-19H,2-11,20-22H2,1H3