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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-5-nitrobenzaldehyde IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-5-nitro-benzaldehyde Formula: C16H13N5O3S MolecularWeight: 355.37112

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3S/c1-2-20-15(11-5-7-17-8-6-11)18-19-16(20)25-14-4-3-13(21(23)24)9-12(14)10-22/h3-10H,2H2,1H3