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

Systemtic Name: 2-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[4-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=N4

Isomeric SMILES

CN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=N4

InChI

InChI=1S/C17H15N5O4S/c1-21-16(14-4-2-3-5-18-14)19-20-17(21)27-9-12-7-13(22(23)24)6-11-8-25-10-26-15(11)12/h2-7H,8-10H2,1H3