N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C17H14BrN5O4S MolecularWeight: 464.29316

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CO3

InChI

InChI=1S/C17H14BrN5O4S/c1-2-7-22-16(14-4-3-8-27-14)20-21-17(22)28-10-15(24)19-13-6-5-11(23(25)26)9-12(13)18/h2-6,8-9H,1,7,10H2,(H,19,24)