(2-bromophenyl)-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone

Systemtic Name: (2-bromophenyl)-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone Openeye Name: (2-bromophenyl)-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone CAS Name: (2-bromophenyl)-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]methanone IUPAC Name: (2-bromophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone Traditional Name: (2-bromophenyl)-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]methanone Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2Br)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2Br)C)SC3=CC=CC=C3

InChI

InChI=1S/C18H15BrN2OS/c1-12-17(23-14-8-4-3-5-9-14)13(2)21(20-12)18(22)15-10-6-7-11-16(15)19/h3-11H,1-2H3