2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-3-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C22H20BrN5OS MolecularWeight: 482.3961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43)Br

InChI

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