5-[(E)-3-chloranylprop-2-enyl]sulfanyl-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(E)-3-chloranylprop-2-enyl]sulfanyl-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(E)-3-chloroallyl]sulfanyl-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[(E)-3-chloroprop-2-enyl]thio]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(E)-3-chloroprop-2-enyl]sulfanyl-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[(E)-3-chloroallyl]thio]-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C12H12ClN3OS2 MolecularWeight: 313.82618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC=CCl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SC/C=C/Cl

InChI

InChI=1S/C12H12ClN3OS2/c1-17-10-5-3-9(4-6-10)14-11-15-16-12(19-11)18-8-2-7-13/h2-7H,8H2,1H3,(H,14,15)/b7-2+