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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]thiazole-5-carboxylic acid Formula: C20H18N4O2S3 MolecularWeight: 442.57752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C20H18N4O2S3/c1-20(2,3)12-6-8-13(9-7-12)24-16(14-5-4-10-27-14)22-23-18(24)29-19-21-11-15(28-19)17(25)26/h4-11H,1-3H3,(H,25,26)