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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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