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

Systemtic Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4S/c1-2-7-23-18(13-3-5-20-6-4-13)21-22-19(23)29-11-15-9-16(24(25)26)8-14-10-27-12-28-17(14)15/h2-6,8-9H,1,7,10-12H2