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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C19H11BrN4S3 MolecularWeight: 471.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=CS5

InChI

InChI=1S/C19H11BrN4S3/c20-12-7-9-13(10-8-12)24-17(16-6-3-11-25-16)22-23-18(24)27-19-21-14-4-1-2-5-15(14)26-19/h1-11H