[4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(4-bromophenyl)thio]-3,5-dimethyl-1-pyrazolyl]-pyridin-4-ylmethanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(4-bromophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]-(4-pyridyl)methanone Formula: C17H14BrN3OS MolecularWeight: 388.28156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3OS/c1-11-16(23-15-5-3-14(18)4-6-15)12(2)21(20-11)17(22)13-7-9-19-10-8-13/h3-10H,1-2H3