5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H12ClN3O2S2 MolecularWeight: 341.83628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C13H12ClN3O2S2/c1-2-3-15-12-16-17-13(21-12)20-6-8-4-9(14)11-10(5-8)18-7-19-11/h2,4-5H,1,3,6-7H2,(H,15,16)