2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-4-chloranyl-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-4-chloranyl-1,3-benzothiazole Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-4-chloro-1,3-benzothiazole CAS Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-4-chloro-1,3-benzothiazole IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-4-chloro-1,3-benzothiazole Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-4-chloro-1,3-benzothiazole Formula: C23H19ClN4S3 MolecularWeight: 483.07176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=CC=C4Cl)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=CC=C4Cl)C5=CC=CS5

InChI

InChI=1S/C23H19ClN4S3/c1-23(2,3)14-9-11-15(12-10-14)28-20(18-8-5-13-29-18)26-27-21(28)31-22-25-19-16(24)6-4-7-17(19)30-22/h4-13H,1-3H3