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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C18H16N4O3S3 MolecularWeight: 432.53964

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)C(=O)O)C4=CC=CS4

Isomeric SMILES

COCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C18H16N4O3S3/c1-25-8-3-7-22-15(13-4-2-9-26-13)20-21-17(22)28-18-19-12-6-5-11(16(23)24)10-14(12)27-18/h2,4-6,9-10H,3,7-8H2,1H3,(H,23,24)