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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-p-anisyl-acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-3-13-25-20(17-7-5-4-6-8-17)23-24-21(25)28-15-19(26)22-14-16-9-11-18(27-2)12-10-16/h3,9-12,17H,1,4-8,13-15H2,2H3,(H,22,26)