2-(ethylamino)-5-fluoranyl-4-(1-methyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzenecarbonitrile

Systemtic Name: 2-(ethylamino)-5-fluoranyl-4-(1-methyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzenecarbonitrile Openeye Name: 2-(ethylamino)-5-fluoro-4-(1-methyl-3-oxo-5-thioxo-1,2,4-triazolidin-4-yl)benzonitrile CAS Name: 2-(ethylamino)-5-fluoro-4-(1-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzonitrile IUPAC Name: 2-(ethylamino)-5-fluoro-4-(1-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzonitrile Traditional Name: 2-(ethylamino)-5-fluoro-4-(3-keto-1-methyl-5-thioxo-1,2,4-triazolidin-4-yl)benzonitrile Formula: C12H12FN5OS MolecularWeight: 293.319983

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C=C1C#N)F)N2C(=O)NN(C2=S)C

Isomeric SMILES

CCNC1=CC(=C(C=C1C#N)F)N2C(=O)NN(C2=S)C

InChI

InChI=1S/C12H12FN5OS/c1-3-15-9-5-10(8(13)4-7(9)6-14)18-11(19)16-17(2)12(18)20/h4-5,15H,3H2,1-2H3,(H,16,19)