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

Systemtic Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C20H18N4O2S3 MolecularWeight: 442.57752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C20H18N4O2S3/c25-18(26)12-8-9-14-16(11-12)28-20(21-14)29-19-23-22-17(15-7-4-10-27-15)24(19)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,25,26)