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

Systemtic Name: 4-chloranyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[2-(o-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide CAS Name: 4-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[2-(o-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O3S/c1-11-4-2-3-5-16(11)23-18(13-9-28-10-15(13)22-23)21-19(25)12-6-7-14(20)17(8-12)24(26)27/h2-8H,9-10H2,1H3,(H,21,25)