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

Systemtic Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methyl-3-nitro-benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-12-6-13(2)8-16(7-12)24-20(17-10-29-11-18(17)23-24)22-21(26)15-5-4-14(3)19(9-15)25(27)28/h4-9H,10-11H2,1-3H3,(H,22,26)