2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylethanol

Systemtic Name: 2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylethanol Openeye Name: 2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylethanol CAS Name: 2-[[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]thio]ethanol IUPAC Name: 2-[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]sulfanylethanol Traditional Name: 2-[[2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]thio]ethanol Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NN2C=NN=C2)[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1/C=N/N2C=NN=C2)[N+](=O)[O-])SCCO

InChI

InChI=1S/C11H11N5O3S/c17-3-4-20-11-2-1-9(5-10(11)16(18)19)6-14-15-7-12-13-8-15/h1-2,5-8,17H,3-4H2/b14-6+