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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-(3-methoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3-(3-methoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-1-methylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-(3-methoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=C(S2)N(N=C3C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=C(S2)N(N=C3C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C21H18BrN3O2S/c1-12-9-14(22)7-8-17(12)23-20(26)18-11-16-19(24-25(2)21(16)28-18)13-5-4-6-15(10-13)27-3/h4-11H,1-3H3,(H,23,26)