2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[[5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C16H11BrClFN4O2S MolecularWeight: 457.704543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2)Cl)F

InChI

InChI=1S/C16H11BrClFN4O2S/c17-8-1-4-13(24)10(5-8)15-21-16(23-22-15)26-7-14(25)20-9-2-3-12(19)11(18)6-9/h1-6,22H,7H2,(H,20,25)(H,21,23)