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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)CC3CCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=N2)CC3CCCC3)Br

InChI

InChI=1S/C17H21BrN4OS/c1-11-8-13(6-7-14(11)18)19-16(23)10-24-17-20-15(21-22-17)9-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H,19,23)(H,20,21,22)