2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]thiazole-5-carboxylic acid Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC=C(S3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC=C(S3)C(=O)O

InChI

InChI=1S/C16H16N4O2S2/c1-16(2,3)13-18-19-14(20(13)10-7-5-4-6-8-10)24-15-17-9-11(23-15)12(21)22/h4-9H,1-3H3,(H,21,22)