N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N4O3S/c1-14(2)25-20(15-10-11-17(27-3)18(12-15)28-4)23-24-21(25)29-13-19(26)22-16-8-6-5-7-9-16/h10-12,14,16H,5-9,13H2,1-4H3,(H,22,26)