N-[2-oxidanyl-5-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide

Systemtic Name: N-[2-oxidanyl-5-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[2-hydroxy-5-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[2-hydroxy-5-[1-oxo-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]phenyl]acetamide IUPAC Name: N-[2-hydroxy-5-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[2-hydroxy-5-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)O)NC(=O)C

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C21H22N4O3S/c1-13(2)20-23-21(24-25(20)16-7-5-4-6-8-16)29-12-19(28)15-9-10-18(27)17(11-15)22-14(3)26/h4-11,13,27H,12H2,1-3H3,(H,22,26)