5-bromanyl-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H19BrN4O3S/c1-12-17(19(27)25(24(12)2)14-7-5-4-6-8-14)22-20(29)23-18(26)15-11-13(21)9-10-16(15)28-3/h4-11H,1-3H3,(H2,22,23,26,29)