3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-(m-tolyl)-1,2,4-triazole Formula: C19H17ClFN3S MolecularWeight: 373.874783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H17ClFN3S/c1-3-10-24-18(14-7-4-6-13(2)11-14)22-23-19(24)25-12-15-16(20)8-5-9-17(15)21/h3-9,11H,1,10,12H2,2H3