N-[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]cyclohexanecarboxamide Openeye Name: N-[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]cyclohexanecarboxamide CAS Name: N-[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]cyclohexanecarboxamide Traditional Name: N-[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]cyclohexanecarboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)C2CCCCC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)C2CCCCC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H26N4O3S/c1-3-24-18(15-10-7-11-16(12-15)27-2)22-23-20(24)28-13-17(25)21-19(26)14-8-5-4-6-9-14/h7,10-12,14H,3-6,8-9,13H2,1-2H3,(H,21,25,26)