2-(4-bromophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide CAS Name: 2-[(4-bromophenyl)thio]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]nicotinamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H21BrN4OS/c1-14-13-15(2)25(24-14)12-4-11-22-19(26)18-5-3-10-23-20(18)27-17-8-6-16(21)7-9-17/h3,5-10,13H,4,11-12H2,1-2H3,(H,22,26)