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

Systemtic Name: N-(4-fluorophenyl)-3-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide Traditional Name: 3-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propionamide Formula: C22H22FN5O2S MolecularWeight: 439.505783

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN5O2S/c1-2-14-28-19(12-13-20(29)24-18-10-8-16(23)9-11-18)26-27-22(28)31-15-21(30)25-17-6-4-3-5-7-17/h2-11H,1,12-15H2,(H,24,29)(H,25,30)