2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1-phenyl-propyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN5OS/c1-13(2)18(14-8-4-3-5-9-14)23-17(27)12-28-20-25-24-19(26(20)22)15-10-6-7-11-16(15)21/h3-11,13,18H,12,22H2,1-2H3,(H,23,27)