3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-furyl)-1,2,4-triazole Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Cl)OCO3)C4=CC=CO4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Cl)OCO3)C4=CC=CO4

InChI

InChI=1S/C17H14ClN3O3S/c1-2-5-21-16(13-4-3-6-22-13)19-20-17(21)25-9-11-7-14-15(8-12(11)18)24-10-23-14/h2-4,6-8H,1,5,9-10H2