lithium 2-[(5-bromanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoate

Systemtic Name: lithium 2-[(5-bromanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoate Openeye Name: lithium 2-[[5-bromo-4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: lithium 2-[[5-bromo-4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoate IUPAC Name: lithium 2-[(5-bromo-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoate Traditional Name: lithium 2-[[5-bromo-4-(1-naphthyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionate Formula: C16H13BrLiN3O2S MolecularWeight: 398.20332

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(C)(C(=O)[O-])SC1=NN=C(N1C2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

[Li+].CC(C)(C(=O)[O-])SC1=NN=C(N1C2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C16H14BrN3O2S.Li/c1-16(2,13(21)22)23-15-19-18-14(17)20(15)12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,1-2H3,(H,21,22);/q;+1/p-1