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

Systemtic Name: 2-methoxy-N-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxy-benzamide CAS Name: 2-methoxy-N-[1-oxo-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]benzamide IUPAC Name: 2-methoxy-N-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: N-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-2-methoxy-benzamide 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)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)NC(=O)C3=CC=CC=C3OC

InChI

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