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

Systemtic Name: N-(2-bromophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)acetamide CAS Name: N-(2-bromophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-bromophenyl)acetamide Formula: C19H23BrN4OS MolecularWeight: 435.38112

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)C3CCCCC3

InChI

InChI=1S/C19H23BrN4OS/c1-2-12-24-18(14-8-4-3-5-9-14)22-23-19(24)26-13-17(25)21-16-11-7-6-10-15(16)20/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2,(H,21,25)