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

Systemtic Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylnaphthalen-1-yl)ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1-naphthyl)acetamide CAS Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-1-naphthalenyl)acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylnaphthalen-1-yl)acetamide Traditional Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methyl-1-naphthyl)acetamide Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)NC(=O)CSC3=NNC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)NC(=O)CSC3=NNC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN4OS/c1-13-9-10-14-5-2-3-8-17(14)19(13)23-18(27)12-28-21-24-20(25-26-21)15-6-4-7-16(22)11-15/h2-11H,12H2,1H3,(H,23,27)(H,24,25,26)