(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioate

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioate Openeye Name: 2-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]-3-[(E)-(4-methoxyphenyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioic acid (4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioate Traditional Name: 2-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]-3-[(E)-p-anisylideneamino]isothiourea Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=NN=CC3=CC=C(C=C3)OC)N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CS/C(=N/N=C/C3=CC=C(C=C3)OC)/N

InChI

InChI=1S/C20H20BrN5O2S/c1-25-17(18(21)19(27)26(25)15-6-4-3-5-7-15)13-29-20(22)24-23-12-14-8-10-16(28-2)11-9-14/h3-12H,13H2,1-2H3,(H2,22,24)/b23-12+