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

Systemtic Name: 1-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-4-phenyl-1,2,4-triazol-3-yl]piperidine Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c25-24(26)17-10-9-16(27-17)11-14-28-19-21-20-18(22-12-5-2-6-13-22)23(19)15-7-3-1-4-8-15/h1,3-4,7-11,14H,2,5-6,12-13H2/b14-11+