N-[(5R)-2-(4-methoxyphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(5R)-2-(4-methoxyphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(5R)-5-keto-2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3C[S@@](=O)CC3=NN2C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18N4O5S/c1-12-15(4-3-5-18(12)24(26)27)20(25)21-19-16-10-30(28)11-17(16)22-23(19)13-6-8-14(29-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,21,25)/t30-/m1/s1