2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-methoxy-phenyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(5-tert-butyl-2-methoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(5-tert-butyl-2-methoxy-phenyl)acetamide Formula: C21H24BrN5O2S MolecularWeight: 490.41656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C21H24BrN5O2S/c1-21(2,3)13-9-10-17(29-4)16(11-13)24-18(28)12-30-20-26-25-19(27(20)23)14-7-5-6-8-15(14)22/h5-11H,12,23H2,1-4H3,(H,24,28)