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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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