4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-ethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=NC=C4

InChI

InChI=1S/C18H17N5O4S/c1-2-22-17(12-3-5-19-6-4-12)20-21-18(22)28-10-14-8-15(23(24)25)7-13-9-26-11-27-16(13)14/h3-8H,2,9-11H2,1H3