3,5-dimethyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide Openeye Name: 3,5-dimethyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide CAS Name: 3,5-dimethyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide IUPAC Name: 3,5-dimethyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide Traditional Name: 3,5-dimethyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O3S/c1-12-7-13(2)9-14(8-12)20(25)21-19-17-10-28-11-18(17)22-23(19)15-3-5-16(6-4-15)24(26)27/h3-9H,10-11H2,1-2H3,(H,21,25)