5-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde

Systemtic Name: 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde Openeye Name: 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde CAS Name: 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-thiophenecarboxaldehyde IUPAC Name: 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde Traditional Name: 5-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde Formula: C8H6N4O3S MolecularWeight: 238.22324

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1C=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=C(SC=C1C=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C8H6N4O3S/c13-3-6-1-7(16-4-6)2-11-5-9-8(10-11)12(14)15/h1,3-5H,2H2