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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-methyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H20BrN5O2S MolecularWeight: 426.3313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)N3CCOCC3)Br

InChI

InChI=1S/C16H20BrN5O2S/c1-11-9-12(3-4-13(11)17)18-14(23)10-25-16-20-19-15(21(16)2)22-5-7-24-8-6-22/h3-4,9H,5-8,10H2,1-2H3,(H,18,23)