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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthalen-2-ylethyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(2-naphthyl)ethyl]acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-[1-(2-naphthalenyl)ethyl]acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-[1-(2-naphthyl)ethyl]acetamide Formula: C22H20BrN5OS MolecularWeight: 482.3961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=C4Br

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=C4Br

InChI

InChI=1S/C22H20BrN5OS/c1-14(16-11-10-15-6-2-3-7-17(15)12-16)25-20(29)13-30-22-27-26-21(28(22)24)18-8-4-5-9-19(18)23/h2-12,14H,13,24H2,1H3,(H,25,29)