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

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-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)C=O)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

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