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

Systemtic Name: 4-ethyl-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-ethyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1,2,4-triazole CAS Name: 4-ethyl-3-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-ethyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-ethyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,2,4-triazole Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC=CC2=CC=C(O2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S/C=C/C2=CC=C(O2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-2-20-15(12-13-6-4-3-5-7-13)18-19-17(20)25-11-10-14-8-9-16(24-14)21(22)23/h3-11H,2,12H2,1H3/b11-10+