2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide Formula: C19H16F2N6OS MolecularWeight: 414.431746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CCC#N)C(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)F

Isomeric SMILES

C1=CC=C(C(=C1)N(CCC#N)C(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)F

InChI

InChI=1S/C19H16F2N6OS/c20-14-6-3-5-13(11-14)18-24-25-19(27(18)23)29-12-17(28)26(10-4-9-22)16-8-2-1-7-15(16)21/h1-3,5-8,11H,4,10,12,23H2