phenyl 4-cyclopropyl-3-(2-fluoranylethylsulfanyl)-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 4-cyclopropyl-3-(2-fluoranylethylsulfanyl)-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 4-cyclopropyl-3-(2-fluoroethylsulfanyl)-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 4-cyclopropyl-3-(2-fluoroethylthio)-5-oxo-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-cyclopropyl-3-(2-fluoroethylsulfanyl)-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 4-cyclopropyl-3-(2-fluoroethylthio)-5-keto-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C14H14FN3O3S MolecularWeight: 323.342663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=O)C(=O)OC3=CC=CC=C3)SCCF

Isomeric SMILES

C1CC1N2C(=NN(C2=O)C(=O)OC3=CC=CC=C3)SCCF

InChI

InChI=1S/C14H14FN3O3S/c15-8-9-22-12-16-18(13(19)17(12)10-6-7-10)14(20)21-11-4-2-1-3-5-11/h1-5,10H,6-9H2