4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-olate

Systemtic Name: 4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-olate Openeye Name: 5-allylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-olate CAS Name: 4-(4-chlorophenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-olate IUPAC Name: 4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-olate Traditional Name: 5-(allylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-olate Formula: C11H9ClN3OS- MolecularWeight: 266.72666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

C=CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C11H10ClN3OS/c1-2-7-17-11-14-13-10(16)15(11)9-5-3-8(12)4-6-9/h2-6H,1,7H2,(H,13,16)/p-1