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

Systemtic Name: N-[2-oxidanyl-1-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]benzamide CAS Name: N-[1-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide IUPAC Name: N-[1-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide Traditional Name: N-[1-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C(CO)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C(CO)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O3S/c1-2-13-27-20(18(14-28)24-21(30)16-9-5-3-6-10-16)25-26-22(27)31-15-19(29)23-17-11-7-4-8-12-17/h2-12,18,28H,1,13-15H2,(H,23,29)(H,24,30)