N-(4-bromanyl-3-methyl-phenyl)-3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-methyl-1-(o-tolyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-methyl-1-(2-methylphenyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-methyl-1-(o-tolyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=C(S3)C(=O)NC4=CC(=C(C=C4)Br)C)C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=C(S3)C(=O)NC4=CC(=C(C=C4)Br)C)C(=N2)C

InChI

InChI=1S/C21H18BrN3OS/c1-12-6-4-5-7-18(12)25-21-16(14(3)24-25)11-19(27-21)20(26)23-15-8-9-17(22)13(2)10-15/h4-11H,1-3H3,(H,23,26)