5-(2-chloranylprop-2-enylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(2-chloranylprop-2-enylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(2-chloroallylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(2-chloroprop-2-enylthio)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2-chloroprop-2-enylsulfanyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(2-chloroallylthio)-1,3,4-thiadiazol-2-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C13H14ClN3OS2 MolecularWeight: 327.85276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)SCC(=C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)SCC(=C)Cl

InChI

InChI=1S/C13H14ClN3OS2/c1-8-4-5-11(18-3)10(6-8)15-12-16-17-13(20-12)19-7-9(2)14/h4-6H,2,7H2,1,3H3,(H,15,16)