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

Systemtic Name: 2-methyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 2-methyl-3-nitro-N-[2-(o-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 2-methyl-3-nitro-N-[2-(o-tolyl)-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=C1N2C(=C3CSCC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

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