N-(2-bromanyl-4-methyl-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H19BrN4OS MolecularWeight: 395.31726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3CCCC3)Br

InChI

InChI=1S/C16H19BrN4OS/c1-10-6-7-13(12(17)8-10)18-14(22)9-23-16-19-15(20-21-16)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,18,22)(H,19,20,21)