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

Systemtic Name: 2-[(4-isoquinolin-5-yl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-isoquinolyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-isoquinolinyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-isoquinolin-5-yl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-(5-isoquinolyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC3=C2C=CN=C3)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC3=C2C=CN=C3)SCC(=O)O

InChI

InChI=1S/C14H12N4O2S/c1-9-16-17-14(21-8-13(19)20)18(9)12-4-2-3-10-7-15-6-5-11(10)12/h2-7H,8H2,1H3,(H,19,20)