3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde

Systemtic Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde Openeye Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde CAS Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]benzaldehyde IUPAC Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde Traditional Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]benzaldehyde Formula: C15H10N4O3S MolecularWeight: 326.3299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O3S/c20-9-10-6-7-13(12(8-10)19(21)22)23-15-16-14(17-18-15)11-4-2-1-3-5-11/h1-9H,(H,16,17,18)