(3S)-2-(2,4-dinitrophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole

Systemtic Name: (3S)-2-(2,4-dinitrophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole Openeye Name: (3S)-2-(2,4-dinitrophenyl)-5-(4-methoxyphenyl)-3-(2-thienyl)-3,4-dihydropyrazole CAS Name: (3S)-2-(2,4-dinitrophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole IUPAC Name: (3S)-2-(2,4-dinitrophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole Traditional Name: (5S)-1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-(2-thienyl)-2-pyrazoline Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CS3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S/c1-29-15-7-4-13(5-8-15)16-12-19(20-3-2-10-30-20)22(21-16)17-9-6-14(23(25)26)11-18(17)24(27)28/h2-11,19H,12H2,1H3/t19-/m0/s1