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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-tert-butylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-tert-butylphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-tert-butylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-tert-butylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-tert-butylphenyl)acetamide Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C20H22BrN5OS/c1-20(2,3)14-9-5-7-11-16(14)23-17(27)12-28-19-25-24-18(26(19)22)13-8-4-6-10-15(13)21/h4-11H,12,22H2,1-3H3,(H,23,27)