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

Systemtic Name: 2-[[4-(2,5-dimethylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2,5-dimethyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2,5-dimethyl-1-naphthalenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2,5-dimethylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2,5-dimethyl-1-naphthyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC=C2)C)N3C=NN=C3SCC(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC=C2)C)N3C=NN=C3SCC(=O)O

InChI

InChI=1S/C16H15N3O2S/c1-10-4-3-5-13-12(10)7-6-11(2)15(13)19-9-17-18-16(19)22-8-14(20)21/h3-7,9H,8H2,1-2H3,(H,20,21)