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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-methyl-1-(3-methylphenyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-methyl-1-(m-tolyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-3-methyl-1-(3-methylphenyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-methyl-1-(3-methylphenyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-methyl-1-(m-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=C1)N2C3=C(C=C(S3)C(=O)NC4=C(C=C(C=C4)C)Br)C(=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=C(S3)C(=O)NC4=C(C=C(C=C4)C)Br)C(=N2)C

InChI

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