N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

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