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

Systemtic Name: N-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methoxy-benzamide Openeye Name: N-[2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methoxy-benzamide CAS Name: N-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-methoxybenzamide IUPAC Name: N-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methoxybenzamide Traditional Name: N-[2-[[4-ethyl-5-(o-tolyl)-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:

CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3C

InChI

InChI=1S/C21H22N4O3S/c1-4-25-19(15-10-6-5-9-14(15)2)23-24-21(25)29-13-18(26)22-20(27)16-11-7-8-12-17(16)28-3/h5-12H,4,13H2,1-3H3,(H,22,26,27)