5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-olate

Systemtic Name: 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-olate Openeye Name: 4-benzyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1,2,4-triazol-3-olate CAS Name: 5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-olate IUPAC Name: 4-benzyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazol-3-olate Traditional Name: 4-benzyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,2,4-triazol-3-olate Formula: C15H11N4O4S- MolecularWeight: 343.33724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SC=CC3=CC=C(O3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2S/C=C/C3=CC=C(O3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H12N4O4S/c20-14-16-17-15(18(14)10-11-4-2-1-3-5-11)24-9-8-12-6-7-13(23-12)19(21)22/h1-9H,10H2,(H,16,20)/p-1/b9-8+