4-ethyl-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-phenyl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-ethyl-3-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 4-ethyl-3-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-5-phenyl-1,2,4-triazole Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S/C=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O3S/c1-2-19-15(12-6-4-3-5-7-12)17-18-16(19)24-11-10-13-8-9-14(23-13)20(21)22/h3-11H,2H2,1H3/b11-10+