4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H13BrClN5O3S MolecularWeight: 494.74952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13BrClN5O3S/c19-13-8-21-24(10-13)9-11-1-3-12(4-2-11)17(26)23-18(29)22-16-6-5-14(25(27)28)7-15(16)20/h1-8,10H,9H2,(H2,22,23,26,29)