N-[4-(4-bromophenyl)sulfanylphenyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C17H14BrN3OS MolecularWeight: 388.28156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=C(C=N1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3OS/c1-21-11-12(10-19-21)17(22)20-14-4-8-16(9-5-14)23-15-6-2-13(18)3-7-15/h2-11H,1H3,(H,20,22)