3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-chloro-4-nitro-phenyl)sulfanyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-4-nitro-phenyl)thio]-5-[(2-fluorophenoxy)methyl]-1,2,4-triazole Formula: C18H14ClFN4O3S MolecularWeight: 420.845163

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)COC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)COC3=CC=CC=C3F

InChI

InChI=1S/C18H14ClFN4O3S/c1-2-9-23-17(11-27-15-6-4-3-5-14(15)20)21-22-18(23)28-16-8-7-12(24(25)26)10-13(16)19/h2-8,10H,1,9,11H2