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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-nitrobenzaldehyde IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-nitro-benzaldehyde Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3S/c1-2-20-16(12-6-4-3-5-7-12)18-19-17(20)25-15-9-8-14(21(23)24)10-13(15)11-22/h3-11H,2H2,1H3