3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(4-ethyl-5-methyl-3-thiophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-ethyl-5-methylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazole Formula: C19H19ClFN3S2 MolecularWeight: 407.955663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C19H19ClFN3S2/c1-4-9-24-18(14-10-25-12(3)13(14)5-2)22-23-19(24)26-11-15-16(20)7-6-8-17(15)21/h4,6-8,10H,1,5,9,11H2,2-3H3