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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H25BrN4OS MolecularWeight: 437.397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C19H25BrN4OS/c1-12-11-15(20)8-9-16(12)21-18(25)13(2)26-19-22-17(23-24-19)10-7-14-5-3-4-6-14/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,21,25)(H,22,23,24)