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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C22H24BrN5O2S/c1-16-13-17(23)7-8-19(16)24-21(29)15-31-22-26-25-20(14-27-9-11-30-12-10-27)28(22)18-5-3-2-4-6-18/h2-8,13H,9-12,14-15H2,1H3,(H,24,29)