3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C19H18ClN3O3S/c1-3-5-23-18(16-4-6-25-12(16)2)21-22-19(23)27-10-14-8-15(20)7-13-9-24-11-26-17(13)14/h3-4,6-8H,1,5,9-11H2,2H3