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

Systemtic Name: 3-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide Openeye Name: 3-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenylpropanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenylpropanamide Traditional Name: 3-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-N-phenyl-propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-2-15-27-19(13-14-20(28)23-17-9-5-3-6-10-17)25-26-22(27)30-16-21(29)24-18-11-7-4-8-12-18/h2-12H,1,13-16H2,(H,23,28)(H,24,29)