N-(2-fluorophenyl)-2-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(2-fluorophenyl)-2-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide Formula: C21H20FN5O2S MolecularWeight: 425.479203

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H20FN5O2S/c1-2-12-27-18(13-19(28)24-17-11-7-6-10-16(17)22)25-26-21(27)30-14-20(29)23-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,23,29)(H,24,28)