[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C18H21BrN6O3S2 MolecularWeight: 513.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C)Br

InChI

InChI=1S/C18H21BrN6O3S2/c1-13-17(19)14(2)25(20-13)12-23-6-5-15(21-23)18(26)22-7-9-24(10-8-22)30(27,28)16-4-3-11-29-16/h3-6,11H,7-10,12H2,1-2H3