2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C24H14N4O2S3 MolecularWeight: 486.58856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C24H14N4O2S3/c29-22(30)15-10-11-17-19(13-15)32-24(25-17)33-23-27-26-21(28(23)16-7-2-1-3-8-16)20-12-14-6-4-5-9-18(14)31-20/h1-13H,(H,29,30)