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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H25N5O2S/c1-3-13-26-19(16-7-9-17(28-2)10-8-16)24-25-20(26)29-14-18(27)23-21(15-22)11-5-4-6-12-21/h3,7-10H,1,4-6,11-14H2,2H3,(H,23,27)