N-(4-bromanyl-2-ethyl-6-methyl-phenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-ethyl-6-methyl-phenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-ethyl-6-methylphenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-ethyl-6-methyl-phenyl)acetamide Formula: C26H25BrN4OS MolecularWeight: 521.4719

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)Br)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC(=C1)Br)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H25BrN4OS/c1-3-20-16-21(27)14-18(2)25(20)28-24(32)17-33-26-30-29-23(15-19-10-6-4-7-11-19)31(26)22-12-8-5-9-13-22/h4-14,16H,3,15,17H2,1-2H3,(H,28,32)