N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-carboxamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-5-[(4-chloro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-5-[(4-chloropyrazol-1-yl)methyl]-2-furamide Formula: C17H14BrClN4O2S MolecularWeight: 453.74066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)Br

InChI

InChI=1S/C17H14BrClN4O2S/c1-10-2-4-14(13(18)6-10)21-17(26)22-16(24)15-5-3-12(25-15)9-23-8-11(19)7-20-23/h2-8H,9H2,1H3,(H2,21,22,24,26)