[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-quinolin-8-ylsulfonyl-azanide

Systemtic Name: [4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-quinolin-8-ylsulfonyl-azanide Openeye Name: [4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-(8-quinolylsulfonyl)azanide CAS Name: [4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-(8-quinolinylsulfonyl)azanide IUPAC Name: [4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-quinolin-8-ylsulfonylazanide Traditional Name: [4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-(8-quinolylsulfonyl)azanide Formula: C20H16BrN4O2S- MolecularWeight: 456.33564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)[N-]S(=O)(=O)C3=CC=CC4=C3N=CC=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)[N-]S(=O)(=O)C3=CC=CC4=C3N=CC=C4)Br

InChI

InChI=1S/C20H16BrN4O2S/c1-14-5-2-6-15(11-14)12-25-13-17(21)20(23-25)24-28(26,27)18-9-3-7-16-8-4-10-22-19(16)18/h2-11,13H,12H2,1H3/q-1