5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzaldehyde

Systemtic Name: 5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzaldehyde Openeye Name: 5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzaldehyde CAS Name: 5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzaldehyde IUPAC Name: 5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzaldehyde Traditional Name: 5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzaldehyde Formula: C9H6N4O3S MolecularWeight: 250.23394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C=O)SC2=NC=NN2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C=O)SC2=NC=NN2

InChI

InChI=1S/C9H6N4O3S/c14-4-6-3-7(13(15)16)1-2-8(6)17-9-10-5-11-12-9/h1-5H,(H,10,11,12)