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

Systemtic Name: 5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H14ClN3O2S2 MolecularWeight: 355.86286

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C14H14ClN3O2S2/c1-2-3-16-13-17-18-14(22-13)21-7-10-5-11(15)4-9-6-19-8-20-12(9)10/h2,4-5H,1,3,6-8H2,(H,16,17)