2-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-5-nitro-benzaldehyde

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]thio]-5-nitrobenzaldehyde IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]thio]-5-nitro-benzaldehyde Formula: C17H10N4O5S MolecularWeight: 382.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CN=NC(=N3)SC4=C(C=C(C=C4)[N+](=O)[O-])C=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN=NC(=N3)SC4=C(C=C(C=C4)[N+](=O)[O-])C=O

InChI

InChI=1S/C17H10N4O5S/c22-8-11-5-12(21(23)24)2-4-16(11)27-17-19-13(7-18-20-17)10-1-3-14-15(6-10)26-9-25-14/h1-8H,9H2