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

Systemtic Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[5-(benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[5-(benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]thiazole-5-carboxylic acid Formula: C20H12N4O2S3 MolecularWeight: 436.52988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)C(=O)O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)C(=O)O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C20H12N4O2S3/c25-18(26)16-11-21-20(28-16)29-19-23-22-17(24(19)13-7-2-1-3-8-13)15-10-12-6-4-5-9-14(12)27-15/h1-11H,(H,25,26)