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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-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-bromo-4-methyl-phenyl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-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-bromo-4-methyl-phenyl)acetamide Formula: C20H25BrN4OS MolecularWeight: 449.4077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3)Br

InChI

InChI=1S/C20H25BrN4OS/c1-3-11-25-19(15-7-5-4-6-8-15)23-24-20(25)27-13-18(26)22-17-10-9-14(2)12-16(17)21/h3,9-10,12,15H,1,4-8,11,13H2,2H3,(H,22,26)