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

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-5-nitrobenzaldehyde IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-5-nitro-benzaldehyde Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C11H10N4O3S/c1-2-10-12-11(14-13-10)19-9-4-3-8(15(17)18)5-7(9)6-16/h3-6H,2H2,1H3,(H,12,13,14)