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

Systemtic Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3)OC

InChI

InChI=1S/C21H28N4O3S/c1-4-12-25-20(15-10-11-17(27-2)18(13-15)28-3)23-24-21(25)29-14-19(26)22-16-8-6-5-7-9-16/h4,10-11,13,16H,1,5-9,12,14H2,2-3H3,(H,22,26)