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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C23H20N4S3 MolecularWeight: 448.6267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C23H20N4S3/c1-23(2,3)15-10-12-16(13-11-15)27-20(19-9-6-14-28-19)25-26-21(27)30-22-24-17-7-4-5-8-18(17)29-22/h4-14H,1-3H3