2-[(4-azanyl-5-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-azanyl-5-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-amino-5-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(1-naphthyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(N3N)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(N3N)SCC(=O)O

InChI

InChI=1S/C14H12N4O2S/c15-18-13(16-17-14(18)21-8-12(19)20)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8,15H2,(H,19,20)