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

Systemtic Name: N-cyclooctyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclooctyl-acetamide CAS Name: N-cyclooctyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-cyclooctyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-cyclooctyl-acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-2-15-25-20(17-11-7-6-8-12-17)23-24-21(25)27-16-19(26)22-18-13-9-4-3-5-10-14-18/h2,6-8,11-12,18H,1,3-5,9-10,13-16H2,(H,22,26)