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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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