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

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C15H10N4O2S3 MolecularWeight: 374.4605

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)C(=O)O)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C15H10N4O2S3/c1-19-12(10-3-2-6-22-10)17-18-14(19)24-15-16-9-5-4-8(13(20)21)7-11(9)23-15/h2-7H,1H3,(H,20,21)