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

Systemtic Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C19H18BrN5O2S MolecularWeight: 460.34752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN5O2S/c1-12(26)21-15-7-3-13(4-8-15)18-23-24-19(25(18)2)28-11-17(27)22-16-9-5-14(20)6-10-16/h3-10H,11H2,1-2H3,(H,21,26)(H,22,27)