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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)F

InChI

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