N-cyclohexyl-2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C22H30N4O4S/c1-5-11-26-21(15-12-17(28-2)20(30-4)18(13-15)29-3)24-25-22(26)31-14-19(27)23-16-9-7-6-8-10-16/h5,12-13,16H,1,6-11,14H2,2-4H3,(H,23,27)